[{"data":1,"prerenderedAt":492},["ShallowReactive",2],{"blog-post-the-best-cheminformatics-tools-for-drug-discovery-teams":3,"blog-posts-nav":22},{"data":4,"meta":18},[5],{"id":6,"attributes":7},79,{"title":8,"content":9,"createdAt":10,"updatedAt":11,"publishedAt":12,"date":13,"description":14,"keywords":15,"slug":16,"category":17},"The best cheminformatics tools for drug discovery teams","The best cheminformatics tools for drug discovery teams include [RDKit](https:\u002F\u002Fwww.rdkit.org) for scripting, [KNIME](https:\u002F\u002Fwww.knime.com) for visual pipelines, [CDD Vault](https:\u002F\u002Fwww.collaborativedrug.com) for data management, and the [Schrödinger](https:\u002F\u002Fwww.schrodinger.com) suite for modeling. Nanome sits alongside them as a collaborative molecular visualization and drug discovery platform with [an AI copilot called MARA](https:\u002F\u002Fnanome.ai\u002Fmara), which runs cheminformatics workflows from plain-English requests across [300+ integrated scientific tools](https:\u002F\u002Fnanome.ai\u002Fintegrations) and [connects directly to CDD Vault](https:\u002F\u002Fnanome.ai\u002Fblog\u002Fcollaborative-drug-discovery-and-nanome-partnership-announcement). It works in [a browser web app, on Windows desktop, and in XR headsets](https:\u002F\u002Fnanome.ai\u002Fsetup).\n\n## What a cheminformatics stack has to do\n\n![Two colleagues wearing ultra-thin VR headsets examine the same ball-and-stick molecular structure floating between them](https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_1_v4s_d73a459442.png)\n\n\n\nCheminformatics is the part of drug discovery that turns molecules into data you can compute on. A few things fall under it:\n\n- **Property calculation.** LogP, molecular weight, hydrogen bond donors, topological polar surface area, and other descriptors you compute from a structure.\n- **Similarity search.** Fingerprints (Morgan, ECFP) and Tanimoto scores to find compounds that look like a hit.\n- **SAR analysis.** Structure-activity relationships: matched molecular pairs, R-group decomposition, activity cliffs, and how a change to a scaffold moves potency.\n- **Filtering.** Lipinski, PAINS, drug-likeness, and synthetic accessibility filters to trim a library before you spend money on it.\n- **Databases.** Querying ChEMBL, PubChem, DrugBank, and your own internal assay data.\n\nMost teams run more than one package, because none of them covers that whole list well. The 3D side of the work, the viewers and structure tools, is a separate question with its own [roundup of molecular visualization tools](https:\u002F\u002Fnanome.ai\u002Fblog\u002Fthe-best-molecular-visualization-tools).\n\n## The common tools, and where each fits\n\n\u003Cdiv class=\"logo-row\" style=\"display:flex;flex-wrap:wrap;align-items:center;justify-content:center;gap:1.75rem;background:#fff;border-radius:12px;padding:1.25rem 1.5rem;margin:2rem 0\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_4_7dc8dad5fe.png\" alt='RDKit' style=\"width:120px;height:44px;object-fit:contain;display:inline-block\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_5_7eb2d1ebcb.png\" alt='KNIME' style=\"width:120px;height:44px;object-fit:contain;display:inline-block\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_6_f6d3f205f2.png\" alt='CDD Vault' style=\"width:120px;height:44px;object-fit:contain;display:inline-block\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_7_5940ffdb42.png\" alt='Schrödinger' style=\"width:120px;height:44px;object-fit:contain;display:inline-block\">\u003C\u002Fdiv>\n\n\n\n\u003Ctable class=\"table\">\n  \u003Cthead>\n    \u003Ctr>\u003Cth>Tool\u003C\u002Fth>\u003Cth>Strongest at\u003C\u002Fth>\u003Cth>How Nanome pairs with it\u003C\u002Fth>\u003C\u002Ftr>\n  \u003C\u002Fthead>\n  \u003Ctbody>\n    \u003Ctr>\u003Ctd>RDKit\u003C\u002Ftd>\u003Ctd>Open-source Python toolkit. Descriptors, fingerprints, substructure search, the engine under most pipelines\u003C\u002Ftd>\u003Ctd>MARA computes the same descriptors and similarity scores off a typed request, with no script to write first\u003C\u002Ftd>\u003C\u002Ftr>\n    \u003Ctr>\u003Ctd>KNIME\u003C\u002Ftd>\u003Ctd>Visual node-based workflows for cheminformatics and data science\u003C\u002Ftd>\u003Ctd>Nanome integrates with KNIME; MARA takes the one-off steps that never justified a node graph\u003C\u002Ftd>\u003C\u002Ftr>\n    \u003Ctr>\u003Ctd>CDD Vault\u003C\u002Ftd>\u003Ctd>Hosted registration, assay data, and SAR management\u003C\u002Ftd>\u003Ctd>Nanome connects directly to CDD Vault; MARA queries a vault and loads what comes back into a shared 3D session\u003C\u002Ftd>\u003C\u002Ftr>\n    \u003Ctr>\u003Ctd>Schrödinger\u003C\u002Ftd>\u003Ctd>Full modeling suite: docking, free energy, physics-based property prediction\u003C\u002Ftd>\u003Ctd>Nanome integrates with \u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fintegrations\">Schrödinger LiveDesign\u003C\u002Fa>; MARA docks and runs electrostatics for quick exploration\u003C\u002Ftd>\u003C\u002Ftr>\n  \u003C\u002Ftbody>\n\u003C\u002Ftable>\n\nRDKit is the free foundation almost everyone builds on. KNIME turns those pieces into repeatable pipelines without much code. CDD Vault keeps compound and assay data organized and searchable. Schrödinger goes deep on physics-based modeling when the accuracy has to hold up.\n\n## How Nanome joins that stack\n\n![A flat vector diagram showing a speech bubble leading to a tool icon and then to a checklist, illustrating how a plain-English request drives an auditable cheminformatics workflow.](https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_2_2e97d182e4.png)\n\n\n\nNanome opens what those pipelines hand off. PDB and SDF files load directly, SMILES can be typed straight in, and an entry can be fetched by code from RCSB PDB or looked up as a compound in PubChem or DrugBank. SMILES comes back out too, through the rdkit-backed WorkspaceAPI\u002FMCP `export_entry` route, so a molecule round-trips between a script and a live 3D session. Two people can share that session from a browser, a Windows desktop, or a headset.\n\nMARA takes a cheminformatics step described in plain English and runs the matching tool out of a library spanning 26 categories. It calculates descriptors, computes Tanimoto similarity, applies drug-likeness and PAINS filters, scores synthetic accessibility, decomposes R-groups, mines matched molecular pairs, and flags activity cliffs. Docking, ADMET, and structure prediction sit in the same set, and there's a wider tour of those in [drug discovery software for computational chemistry](https:\u002F\u002Fnanome.ai\u002Fblog\u002Fdrug-discovery-software-for-computational-chemistry). Teams add to it as well: a group can wrap its own script as a MARA tool and publish it internally, so a house procedure becomes something any colleague can call by name.\n\nEvery run leaves a record of the tool that fired, the inputs it took, and the numbers it returned, so a result in a report traces back to the call that produced it. Enterprise deployments can also run [on infrastructure you control](https:\u002F\u002Fnanome.ai\u002Fmara-enterprise), which tends to be a precondition when the compounds are proprietary.\n\nThe CDD Vault connection is what ties assay data back to structure. MARA can run a saved search or a similarity query against your vault and load the results into a shared session, where the chemists and the biologists read the same SAR at the same time. Reviews like that move real decisions. Nimbus Therapeutics examined AMPKβ2 in VR while the protein moved, revised a selectivity strategy it had already settled on, and came away with compounds more active on the target.\n\n## Where the other tools stay in front\n\n![A researcher at a workstation studies a cartoon-ribbon protein structure on a large monitor in a quiet modern office.](https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002Fthe_best_cheminformatics_tools_for_drug_discovery_teams_image_3_0829056a4b.png)\n\n\n\nLarge batch pipelines that have to execute unattended every night belong in KNIME or a scheduled RDKit job. Physics-based free energy calculations at production accuracy belong in Schrödinger's suite, and the Maestro files that come out of it, `.mae` and `.maegz`, open in Nanome afterward for review (`.mae` doubles as what the LiveDesign gadget ingests). Nanome integrates with both instead of replacing them, so the usual arrangement leaves the pipeline and the modeling suite where they are and adds Nanome for the collaborative, exploratory, ask-in-plain-English part.\n\nBiologics change the tool list again, and [software for computational antibody design](https:\u002F\u002Fnanome.ai\u002Fblog\u002Fsoftware-for-computational-antibody-design) covers that side. For what any of this looked like on live projects, the [case studies](https:\u002F\u002Fnanome.ai\u002Fcase-studies) have the specifics.\n\n## FAQ\n\n**What is the best free cheminformatics tool?**\nRDKit. It's open source, widely maintained, and does descriptors, fingerprints, similarity, and substructure search. It's also the engine underneath a lot of commercial tools. Nanome's MARA returns the same quantities from a typed request, no Python required.\n\n**Can I run cheminformatics without coding?**\nYes. KNIME gives you visual node-based pipelines. Nanome's MARA covers one-off tasks: a request like \"calculate LogP and drug-likeness for these compounds\" runs the matching tool and returns the result, along with a note of which tool handled it.\n\n**What file formats does Nanome support?**\nSupport comes in tiers, so each format below is paired with what you can do with it.\n\n- **Import, view, and edit:** PDB (`.pdb`, `.ent`), mmCIF\u002FPDBx (`.cif`, `.mmcif`, `.mcif`, `.bcif`), SDF (`.sdf`, `.sd`), MOL and MOL2, SMILES (`.smi`, or typed in), XYZ (`.xyz`), PQR (`.pqr`).\n- **Import and view:** PDBQT (`.pdbqt`, converted to PDB with charges dropped), Maestro (`.mae`, `.maegz`), MOE (`.moe`), PyMOL sessions (`.pse`).\n- **Overlay onto a model already loaded:** DX electrostatic maps (`.dx`).\n- **Export:** PDB, SDF, or SMILES, single frame. SMILES leaves through the WorkspaceAPI\u002FMCP `export_entry` route. mmCIF, MAE, MOE, and PSE are import-only.\n\nThe [file formats documentation](https:\u002F\u002Fdocs.nanome.ai\u002Fnanome_web\u002Ffileformats) has the rest.\n\n**Does Nanome work with CDD Vault?**\nYes. Nanome connects directly to Collaborative Drug Discovery's CDD Vault. MARA can run a saved search or a similarity query against your vault, then load what it finds into a shared 3D visualization.\n\n**What cheminformatics can MARA run?**\nProperty and descriptor calculation, Tanimoto similarity, molecular filters (drug-likeness, PAINS), synthetic accessibility scoring, R-group decomposition, matched molecular pair analysis, and activity cliff detection, among 300+ integrated tools that also cover docking, ADMET, and structure prediction.\n","2026-07-15T01:23:49.810Z","2026-09-17T16:00:10.167Z","2026-09-17T16:00:10.102Z","2026-09-17","The best cheminformatics tools for drug discovery teams: RDKit, KNIME, CDD Vault, Schrodinger, and Nanome with MARA in plain English.","best cheminformatics tools, cheminformatics software, RDKit, KNIME, CDD Vault, drug discovery tools, molecular property calculation, SAR analysis, Nanome, MARA","the-best-cheminformatics-tools-for-drug-discovery-teams","frequent-topics",{"pagination":19},{"page":20,"pageSize":21,"pageCount":20,"total":20},1,100,{"data":23,"meta":490},[24,29,35,40,45,50,55,60,65,70,75,81,86,91,97,102,107,112,117,122,127,132,137,142,147,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,309,314,319,324,329,334,339,344,349,354,359,364,369,374,379,384,389,394,399,404,409,414,419,424,429,434,439,444,449,454,459,464,469,474,478,483,485],{"id":20,"attributes":25},{"slug":26,"title":27,"category":28},"spy-stories-and-rational-drug-design","Spy stories & rational drug design","case-studies",{"id":30,"attributes":31},2,{"slug":32,"title":33,"category":34},"meta-quest-pro-and-a-new-version-of-nanome-(v1.24)","Meta Quest Pro & a new version of Nanome (v1.24)","releases",{"id":36,"attributes":37},3,{"slug":38,"title":39,"category":28},"beating-the-pandemic-in-virtual-reality","Beating the Pandemic in Virtual Reality",{"id":41,"attributes":42},4,{"slug":43,"title":44,"category":28},"a-new-era-in-drug-discovery-the-first-ai-generated-drug-is-going-to-clinical-trial","A new era in drug discovery? The first AI-generated drug is going to clinical trial",{"id":46,"attributes":47},5,{"slug":48,"title":49,"category":28},"antibody-prophylaxis-for-lyme-disease","Antibody Prophylaxis for Lyme Disease",{"id":51,"attributes":52},6,{"slug":53,"title":54,"category":28},"diabetes-treatment-is-about-to-change-forever","Diabetes treatment is about to change forever",{"id":56,"attributes":57},7,{"slug":58,"title":59,"category":34},"april-2023-nanome-plugins-and-home.nanome.ai-updates","April 2023 Nanome Plugins & home.nanome.ai Updates",{"id":61,"attributes":62},8,{"slug":63,"title":64,"category":34},"v1.24.4-patch-release-blog-and-data-table-plugin-update","v1.24.4 Patch Release Blog and Data Table Plugin Update",{"id":66,"attributes":67},9,{"slug":68,"title":69,"category":28},"exploring-gaba-in-vr-common-therapeutics-can-reverse-pathological-sleep-conditions","Exploring GABA in VR - Common therapeutics can reverse pathological sleep conditions",{"id":71,"attributes":72},10,{"slug":73,"title":74,"category":34},"introducing-mara:-a-paradigm-shift-in-ai-assisted-scientific-informatics-workflow-orchestration","Introducing MARA: A Paradigm Shift in AI-assisted Scientific Informatics Workflow Orchestration",{"id":76,"attributes":77},11,{"slug":78,"title":79,"category":80},"reflecting-on-2023-and-looking-forward-to-2024","Reflecting on 2023, and looking forward to 2024","philosophy",{"id":82,"attributes":83},12,{"slug":84,"title":85,"category":80},"our-thoughts-on-the-up-and-coming-apple-vision-pro","Our thoughts on the up & coming Apple Vision Pro ",{"id":87,"attributes":88},14,{"slug":89,"title":90,"category":34},"introducing-the-the-nanome-scene-viewer-plugin","Introducing the The Nanome Scene Viewer Plugin",{"id":92,"attributes":93},13,{"slug":94,"title":95,"category":96},"revolutionize-your-research-with-the-nanome-jupyter-cookbook-plugin","Revolutionize Your Research with the Nanome Jupyter Cookbook Plugin","tutorials",{"id":98,"attributes":99},15,{"slug":100,"title":101,"category":80},"nanospin:-a-glimpse-into-nanome's-vision-for-the-future-with-apple-vision-pro","NanoSpin: A Glimpse into Nanome's Vision for the Future with Apple Vision Pro",{"id":103,"attributes":104},16,{"slug":105,"title":106,"category":34},"calcflow-comes-to-the-apple-vision-pro","Calcflow comes to the Apple Vision Pro",{"id":108,"attributes":109},17,{"slug":110,"title":111,"category":34},"nanome-apple-vision-pro-and-2.0-dev-blog-april-2024","Nanome Apple Vision Pro & 2.0 Dev Blog April 2024",{"id":113,"attributes":114},18,{"slug":115,"title":116,"category":34},"mara-q2-2024-update-blog","MARA Q2 2024 Update Blog",{"id":118,"attributes":119},19,{"slug":120,"title":121,"category":80},"nanome-on-apple-vision-pro-roadmap","Nanome on Apple Vision Pro Roadmap",{"id":123,"attributes":124},20,{"slug":125,"title":126,"category":34},"v1.24.6-patch-release","v1.24.6 Patch Release",{"id":128,"attributes":129},21,{"slug":130,"title":131,"category":34},"mara-public-beta-coming-soon","MARA Public Beta Coming Soon ",{"id":133,"attributes":134},22,{"slug":135,"title":136,"category":34},"introduction-to-mara-freemium","Introduction to MARA Freemium",{"id":138,"attributes":139},23,{"slug":140,"title":141,"category":96},"computer-aided-drug-discovery-and-design-through-mara","Computer-Aided Drug Discovery & Design through MARA",{"id":143,"attributes":144},24,{"slug":145,"title":146,"category":96},"mara-and-cdd-integration-example","MARA & CDD Integration Example",{"id":148,"attributes":149},26,{"slug":150,"title":151,"category":152},"collaborative-drug-discovery-and-nanome-partnership-announcement","Collaborative Drug Discovery & Nanome Partnership Announcement","partnerships",{"id":154,"attributes":155},25,{"slug":156,"title":157,"category":96},"introduction-to-mara-tool-creation","Introduction to MARA Tool Creation",{"id":159,"attributes":160},27,{"slug":161,"title":162,"category":34},"mara-update:-v0.12.10","MARA Update: v0.12.10",{"id":164,"attributes":165},28,{"slug":166,"title":167,"category":96},"mara-bioinformatics-workflow","MARA Bioinformatics Workflow",{"id":169,"attributes":170},29,{"slug":171,"title":172,"category":96},"mara-cheminformatics-workflow","MARA Cheminformatics Workflow",{"id":174,"attributes":175},32,{"slug":176,"title":177,"category":34},"announcing-the-early-access-program-for-nanome-ai:-the-next-generation-of-molecular-design","Announcing the Early Access Program for Nanome AI: The Next Generation of Molecular Design",{"id":179,"attributes":180},31,{"slug":181,"title":182,"category":96},"mara-and-jupyter-notebook-integration","MARA and Jupyter Notebook Integration",{"id":184,"attributes":185},33,{"slug":186,"title":187,"category":96},"exploring-the-new-scene-menu-in-nanome-2.0:-a-comprehensive-guide","Exploring the New Scene Menu in Nanome 2.0: A Comprehensive Guide",{"id":189,"attributes":190},34,{"slug":191,"title":192,"category":96},"understanding-nanome-2.0's-new-permissioning-system:-a-guide-to-secure-and-collaborative-workspaces","Understanding Nanome 2.0’s New Permissioning System: A Guide to Secure and Collaborative Workspaces",{"id":194,"attributes":195},35,{"slug":196,"title":197,"category":96},"nanome-2.0:-a-deep-dive-into-the-technical-foundations","Nanome 2.0: A Deep Dive into the Technical Foundations",{"id":199,"attributes":200},36,{"slug":201,"title":202,"category":34},"major-updates-to-the-nanome-documentation-site","Major Updates to the Nanome Documentation Site",{"id":204,"attributes":205},37,{"slug":206,"title":207,"category":96},"assay-data-enabled-analysis-workflows-in-mara","Assay Data Enabled Analysis Workflows in MARA",{"id":209,"attributes":210},38,{"slug":211,"title":212,"category":96},"from-vault-to-workspaces:-the-evolution-of-file-and-workflow-management-in-nanome-2.0","From Vault to Workspaces: The Evolution of File and Workflow Management in Nanome 2.0",{"id":214,"attributes":215},39,{"slug":216,"title":217,"category":80},"looking-back-at-2024-and-what's-next-for-nanome-in-2025","Looking Back at 2024 and What’s Next for Nanome in 2025",{"id":219,"attributes":220},40,{"slug":221,"title":222,"category":96},"how-nanome's-agentic-platform-can-enhance-and-integrate-with-your-docking-and-structural-visualization-workflows","How Nanome’s agentic platform can enhance and integrate with your docking and structural visualization workflows",{"id":224,"attributes":225},41,{"slug":226,"title":227,"category":34},"nanome-ai-february-2025-update!","Nanome AI February 2025 Update!",{"id":229,"attributes":230},42,{"slug":231,"title":232,"category":34},"mara's-updated-workflow-processes-provide-huge-time-savings!","MARA’s Updated Workflow Processes Provide Huge Time Savings!",{"id":234,"attributes":235},43,{"slug":236,"title":237,"category":152},"livedesign-live-reports-literally-at-your-fingertips","LiveDesign Live Reports — Literally at Your Fingertips",{"id":239,"attributes":240},44,{"slug":241,"title":242,"category":34},"nanome-v2.1.0-release-update:-new-workspace-api-interactions-alignment-ligands-table-and-more!","Nanome v2.1.0 Release Update: New Workspace API, Interactions, Alignment, Ligands Table, and more!",{"id":244,"attributes":245},45,{"slug":246,"title":247,"category":152},"view-your-openeyecadence-data-with-fresh-eyes-using-nanome-xr","View Your OpenEye\u002FCadence Data with Fresh Eyes using Nanome XR",{"id":249,"attributes":250},46,{"slug":251,"title":252,"category":34},"nanome-v2.1.1-patch-release-update:-new-scene-pov-sdf-metadata-support-and-rendering-improvements","Nanome v2.1.1 Patch Release Update: New Scene POV, SDF Metadata Support, and Rendering Improvements",{"id":254,"attributes":255},47,{"slug":256,"title":257,"category":34},"nanome-v2.2.0:-measure-interact-and-analyze-from-atom-to-angstroms","Nanome v2.2.0: Measure, Interact, and Analyze from Atom to Angstroms",{"id":259,"attributes":260},48,{"slug":261,"title":262,"category":28},"v2.2-usecase-blog:-how-a-biochemist-leveraged-measurement-tools-in-xr-to-streamline-protein-design","V2.2 Usecase Blog: How a biochemist leveraged Measurement Tools in XR to Streamline Protein Design",{"id":264,"attributes":265},49,{"slug":266,"title":267,"category":152},"from-pdb-to-pose:-integration-of-nanome's-mara-and-cresset's-flare","From PDB to Pose: Integration of Nanome’s MARA and Cresset’s Flare",{"id":269,"attributes":270},50,{"slug":271,"title":272,"category":34},"nanome-v2.3.0:-new-tools-(builder-and-selection)-sequence-menu-and-web-preview","Nanome V2.3.0: New Tools (Builder and Selection), Sequence Menu, and Web Preview",{"id":274,"attributes":275},51,{"slug":276,"title":277,"category":34},"important-security-update-for-nanome-unity-vulnerability-patch","Important Security Update for Nanome – Unity Vulnerability Patch",{"id":279,"attributes":280},52,{"slug":281,"title":282,"category":80},"interface-to-design-the-future","Interface to Design the Future",{"id":284,"attributes":285},53,{"slug":286,"title":287,"category":96},"setting-up-boltz-2-configuration-files-and-analysis-with-nanome-ai","Setting Up Boltz-2 Configuration Files and Analysis with Nanome AI",{"id":289,"attributes":290},54,{"slug":291,"title":292,"category":152},"meta-horizon-managed-services-goes-free:-what-this-means-for-enterprise-vr-users","Meta Horizon Managed Services Goes Free: What This Means for Enterprise VR Users",{"id":294,"attributes":295},55,{"slug":296,"title":297,"category":34},"nanome-v2.4.0:-early-access-release-mara-voice-commands-minimization-chem-interactions-and-more!","Nanome v2.4.0: Early Access Release, Mara Voice Commands, Minimization, Chem Interactions, and more! ",{"id":299,"attributes":300},60,{"slug":301,"title":302,"category":152},"nanome-joins-the-openfold-consortium","Nanome Joins the OpenFold Consortium",{"id":304,"attributes":305},66,{"slug":306,"title":307,"category":308},"announcing:-nanome-claude-code-skill-and-mcp-server-and-what's-next-for-mara","Announcing: Nanome Claude Code Skill & MCP Server, and What's Next for MARA",null,{"id":310,"attributes":311},69,{"slug":312,"title":313,"category":80},"the-new-front-door-to-nanome","The New Front Door to Nanome",{"id":315,"attributes":316},68,{"slug":317,"title":318,"category":34},"nanome-v2.5:-web-trajectories-torsion-tool-and-more","Nanome v2.5: Web, Trajectories, Torsion Tool, and More",{"id":320,"attributes":321},70,{"slug":322,"title":323,"category":308},"academic-license-update-for-nanome","Academic License Update for Nanome",{"id":325,"attributes":326},71,{"slug":327,"title":328,"category":34},"web-app-1.0-ships-today-and-mara's-beta-tag-comes-off-with-it.","Web App 1.0 ships today, and MARA's beta tag comes off with it.",{"id":330,"attributes":331},138,{"slug":332,"title":333,"category":34},"v2.6-release-blog:-scene-recording-residue-editor-mara-tools-in-xr-and-more","V2.6 Release Blog: Scene Recording, Residue Editor, MARA Tools in XR, and More",{"id":335,"attributes":336},140,{"slug":337,"title":338,"category":28},"how-resonac-turned-two-years-of-misaligned-randd-into-a-single-afternoon-breakthrough","How Resonac Turned Two Years of Misaligned R&D Into a Single Afternoon Breakthrough",{"id":340,"attributes":341},141,{"slug":342,"title":343,"category":308},"nanome-mcp-is-live!","Nanome MCP is live!",{"id":345,"attributes":346},142,{"slug":347,"title":348,"category":17},"what-a-modern-molecular-presentation-looks-like","The molecular PowerPoint: what a modern molecular presentation looks like",{"id":350,"attributes":351},83,{"slug":352,"title":353,"category":17},"collaborative-drug-discovery-software-for-remote-teams","Collaborative drug discovery software for remote teams",{"id":355,"attributes":356},103,{"slug":357,"title":358,"category":17},"vr-for-medicinal-chemists","VR for medicinal chemists",{"id":360,"attributes":361},85,{"slug":362,"title":363,"category":17},"how-to-analyze-protein-ligand-interactions","How to analyze protein-ligand interactions",{"id":365,"attributes":366},86,{"slug":367,"title":368,"category":17},"how-to-visualize-proteins-in-vr","How to visualize proteins in VR",{"id":370,"attributes":371},102,{"slug":372,"title":373,"category":17},"how-to-view-pdb-files-in-3d-and-the-tools-that-do-it-well","How to view PDB files in 3D, and the tools that do it well",{"id":375,"attributes":376},90,{"slug":377,"title":378,"category":17},"molecular-visualization-for-structural-biologists","Molecular visualization for structural biologists",{"id":380,"attributes":381},77,{"slug":382,"title":383,"category":17},"software-for-computational-antibody-design","Software for computational antibody design",{"id":385,"attributes":386},84,{"slug":387,"title":388,"category":17},"drug-discovery-software-for-computational-chemistry","Drug discovery software for computational chemistry",{"id":390,"attributes":391},105,{"slug":392,"title":393,"category":17},"the-best-molecular-visualization-tools","The best molecular visualization tools",{"id":395,"attributes":396},88,{"slug":397,"title":398,"category":17},"software-for-molecular-docking-visualization","Software for molecular docking visualization",{"id":400,"attributes":401},87,{"slug":402,"title":403,"category":17},"mcp-servers-for-cheminformatics-and-drug-discovery","MCP servers for cheminformatics and drug discovery",{"id":405,"attributes":406},74,{"slug":407,"title":408,"category":17},"agentic-ai-for-computational-chemistry","Agentic AI for computational chemistry",{"id":410,"attributes":411},75,{"slug":412,"title":413,"category":17},"an-ai-copilot-for-drug-discovery-workflows","An AI copilot for drug discovery workflows",{"id":415,"attributes":416},94,{"slug":417,"title":418,"category":17},"how-nanome-is-different-from-pymol","How Nanome is different from PyMOL",{"id":420,"attributes":421},93,{"slug":422,"title":423,"category":17},"how-nanome-is-different-from-moe","How Nanome is different from MOE",{"id":425,"attributes":426},92,{"slug":427,"title":428,"category":17},"how-nanome-is-different-from-biovia-discovery-studio","How Nanome is different from BIOVIA Discovery Studio",{"id":430,"attributes":431},95,{"slug":432,"title":433,"category":17},"how-nanome-is-different-from-schrodinger-maestro","How Nanome is different from Schrödinger Maestro",{"id":435,"attributes":436},98,{"slug":437,"title":438,"category":17},"tools-for-visualizing-protein-ligand-interactions","Tools for visualizing protein-ligand interactions",{"id":440,"attributes":441},96,{"slug":442,"title":443,"category":17},"how-nanome-is-different-from-vmd","How Nanome is different from VMD",{"id":445,"attributes":446},145,{"slug":447,"title":448,"category":17},"how-to-run-an-sar-meeting","How to run an SAR meeting on a 3D structure",{"id":450,"attributes":451},91,{"slug":452,"title":453,"category":17},"how-nanome-is-different-from-ucsf-chimerax","How Nanome is different from UCSF ChimeraX",{"id":455,"attributes":456},97,{"slug":457,"title":458,"category":17},"natural-language-interfaces-for-molecular-modeling","Natural language interfaces for molecular modeling",{"id":460,"attributes":461},89,{"slug":462,"title":463,"category":17},"software-for-visualizing-molecular-dynamics-trajectories","Software for visualizing molecular dynamics trajectories",{"id":465,"attributes":466},144,{"slug":467,"title":468,"category":17},"presenting-computational-results-to-experimental-teams","How to present computational results to an experimental team",{"id":470,"attributes":471},143,{"slug":472,"title":473,"category":17},"how-to-share-a-3d-molecular-structure-with-your-team","How to share a 3D molecular structure with your team",{"id":21,"attributes":475},{"slug":476,"title":477,"category":17},"spatial-computing-for-pharmaceutical-research","Spatial computing for pharmaceutical research",{"id":479,"attributes":480},76,{"slug":481,"title":482,"category":17},"running-alphafold-and-boltz-2-in-a-molecular-workflow","Running AlphaFold and Boltz-2 in a molecular workflow",{"id":6,"attributes":484},{"slug":16,"title":8,"category":17},{"id":486,"attributes":487},78,{"slug":488,"title":489,"category":17},"the-best-ai-tools-for-drug-discovery","The best AI tools for drug discovery",{"pagination":491},{"page":20,"pageSize":21,"pageCount":20,"total":420},1789661277993]