333 tagged drug discovery, measured the same way as everything else here.
Browse within: bioinformatics 119Multi-Agent 57RAG 57genomics 57knowledge-graph 57claude-plugin 56chembl 43computational-biology 40Drug Design 36Cheminformatics 35bioactivity 35drug-repurposing 33openclaw 33compounds 32
Skill Claude CodeCodex
Generate diverse lead compounds for a specific protein target using structure-based drug design with MolCraft. Use this skill when: (1) Designing drug candidates for a known protein target (PDB ID or disease name), (2) Generating structurally diverse molecules with optimized binding affinity, (3) Filtering candidates…
AgentTeam-TaichuAI/ScienceClaw
Skill Claude CodeCodex
Use this skill whenever the user wants to create, read, edit, or manipulate Word documents (.docx files). Triggers include: any mention of 'Word doc', 'word document', '.docx', or requests to produce professional documents with formatting like tables of contents, headings, page numbers, or letterheads. Also use when…
AgentTeam-TaichuAI/ScienceClaw
Skill Claude CodeCodex
Use this skill whenever the user wants to do anything with PDF files. This includes reading or extracting text/tables from PDFs, combining or merging multiple PDFs into one, splitting PDFs apart, rotating pages, adding watermarks, creating new PDFs, filling PDF forms, encrypting/decrypting PDFs, extracting images, and…
AgentTeam-TaichuAI/ScienceClaw
Skill Claude CodeCodex
A research workflow for gathering information from multiple sources and producing professional PDF or DOCX reports. It can use papers, scientific databases, and web search for technical and scientific questions.
Skill Claude CodeCodex
Interactive scientific visualization with Plotly. Two APIs: plotly.express (px) for one-liner DataFrame plots, plotly.graphobjects (go) for trace-level control. 40+ chart types with hover, zoom, pan, animation. Exports HTML or static PNG/SVG/PDF via kaleido. Use for volcano plots with gene hover, dose-response…
Skill Claude CodeCodex
Statistical visualization on matplotlib with native pandas support. Auto aggregation, CIs, grouping for distributions (histplot, kdeplot), categorical (boxplot, violinplot), relational (scatterplot, lineplot), regression (regplot, lmplot), matrix (heatmap, clustermap), grids (pairplot, FacetGrid). Use for quick…
Skill Claude CodeCodex
Biopython sequence analysis: parse FASTA/FASTQ/GenBank/GFF (SeqIO), NCBI Entrez (esearch/efetch/elink), remote/local BLAST, pairwise/MSA alignment (PairwiseAligner, MUSCLE/ClustalW), phylogenetic trees (Phylo). Use for gene family studies, phylogenomics, comparative genomics, NCBI pipelines. For…
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Define a docking search box (center coordinates + box dimensions in Angstroms) from a co-crystal ligand, binding-site residues, or a saved JSON specification. Use this skill whenever the user mentions binding site, docking box, search box, grid box, active site definition, or pocket definition, or needs to specify…
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Compute single-trajectory MM-GBSA and / or MM-PBSA binding free energy estimates from a protein-ligand MD trajectory. Two backends: a fast OpenMM GBn2 path (no extra dependencies) and an AmberTools MMPBSA.py path that supports both GB (multiple igb models) and Poisson-Boltzmann PB on the same trajectory.
learningmatter-mit/AtomisticSkills
Skill Claude CodeCodex
Identify and rank ligandable pockets on a protein structure or model using geometry (fpocket) or an ML predictor (P2Rank). Returns ranked pockets with lining residues, geometric center, volume, and a druggability score per pocket. Excludes docking; pair with drug-binding-site-definition or drug-docking-vina…
Skill Claude CodeCodex
Computational chemistry workflow guide for DeepChem, PySCF, RDKit, assay-table normalization, PDBbind-style structure datasets, QSAR and structure benchmarks, DrugBank lookup, ligand-only and structure-aware affinity prediction, ADMET triage, bioactivity prediction, virtual screening, and docking follow-up.
Skill Claude CodeCodex
Molecular docking workflow guide and reusable pipeline template for AutoDock Vina, Open Babel, and PyMOL.
Skill Claude CodeCodex
Bioinformatics workflow guide for sequence analysis, QC, plotting, structure rendering, and literature search.
Skill Claude CodeCodex
SemaTyP combines two data sources into a knowledge graph for drug discovery / repositioning.
Skill Claude CodeCodex
Query drug/chemical and gene/protein entities in the BioCreative VII DrugProt dataset. Returns annotated relations (e.g., INHIBITOR, ACTIVATOR, SUBSTRATE) between chemicals and genes/proteins from biomedical literature.
Skill Claude CodeCodex
Query the PsyTAR psychiatric adverse-reaction corpus. Use when the user asks about patient-reported ADRs, withdrawal symptoms, drug indications, or effectiveness for Zoloft, Lexapro, Cymbalta, or Effexor XR. Accepts drug names (brand or generic), symptom terms, or UMLS CUIs.
Skill Claude CodeCodex
Plan, execute, monitor, and assess protein/antibody design campaigns. This skill governs how to size a campaign, track run state, coordinate multi-run efforts, estimate cost and time on each compute target (local GPU, HPC, Tamarind), monitor progress, and evaluate campaign health.
Skill Claude CodeCodex
Interpret and apply BY custom scoring metrics for protein and antibody design. This skill covers ipSAE (interface Predicted Structural Accuracy Error) — the primary custom metric that differentiates BY from generic structure prediction tools — along with ipTM, pLDDT, RMSD, liability scoring, and the BY composite…
Skill Claude CodeCodex
Comprehensive screening battery for evaluating protein binder and antibody designs produced by PXDesign and BoltzGen. This skill encodes all quality filters, scoring thresholds, liability checks, and developability assessments used to triage designs before experimental validation.
Skill Claude CodeCodex
Search ChEMBL bioactive molecules database with natural language queries. Find compounds and assay data with Valyu semantic search.
Skill Claude CodeCodex
Analyze competitive landscape for drugs including clinical pipeline, mechanism of action, development status, and company profiles. Use this skill for competitive intelligence, pipeline tracking, market analysis, and investment due diligence. Supports drug names, target areas, or disease indications. Keywords…
Skill Claude CodeCodex
Comprehensive literature search with automatic summarization, trend analysis, and key paper identification from PubMed and preprints. Use this skill for literature review, trend identification, key paper discovery, and staying current with research developments. Keywords: literature, pubmed, papers, search…
Skill Claude CodeCodex
Generate professional drug discovery reports including target dossiers, competitive briefs, and Go/No-Go decision summaries. Use this skill when you need formatted reports for presentations, decision meetings, or documentation. Supports multiple output formats. Keywords: report, dossier, decision, go-no-go, brief…
Skill Claude CodeCodex
Reason about drug repurposing strategies in HCLS — choosing between target-based and phenotype-based approaches, evaluating mechanism-of-action overlap, querying drug-gene interaction databases, assessing clinical translatability, and ranking candidates by evidence strength. Use when the user asks to repurpose a drug…