PyPI
scverse/pertpy
Single-cell perturbation analysis
MIT24 ago 2026 · métricas 2.10.0
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#drug-discovery
Todos los repositorios del registro público que llevan esta etiqueta, procedente de sus topics de GitHub o de las palabras clave que publican sus registros de paquetes. La salud se mide con la misma metodología versionada que el resto del registro.
14 registros
PyPI
ersilia-os/ersilia
The Ersilia Model Hub, an open-source repository and CLI of AI/ML models for infectious and neglected disease research.
GPL-3.08 ago 2026 · métricas 2.10.0
PyPI
K-Dense-AI/scientific-agent-skills
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 170,000+ scientists worldwide. 158 ready-to-use skills plus 100+ scientific databases covering biology, chemistry, medicine, and drug discovery. Compatible with Cursor, Claude Code, Codex, Pi, Antigravity, and the open Agent Skills standard.
MIT5 ago 2026 · métricas 2.10.0
PyPI · npm
Acellera/moleculekit
MoleculeKit: Your favorite molecule manipulation kit
Licencia propia24 jul 2026 · métricas 2.10.0
PyPI
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Licencia propia16 jul 2026 · métricas 2.10.0
PyPI
abhishektiwari/hbat
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com
MIT2 ago 2026 · métricas 2.10.0
PyPI · crates.io
kent-tokyo/renkin
RENKIN is an open-source retrosynthesis engine for computer-aided synthesis planning (CASP) that automatically discovers optimal chemical reaction routes from a target molecule back to cheap, commercially available starting materials.
MIT26 jul 2026 · métricas 2.10.0
crates.io
kent-tokyo/chematic
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
Apache-2.017 jul 2026 · métricas 2.10.0
PyPI
jwohlwend/boltz
Official repository for the Boltz biomolecular interaction models
MIT28 ago 2026 · métricas 2.10.0
PyPI
PDBeurope/rellig
Identifies relevant ligands in the PDB
Apache-2.015 jul 2026 · métricas 2.10.0
PyPI
BioPandas/biopandas
Working with molecular structures in pandas DataFrames
BSD-3-Clause21 jul 2026 · métricas 2.10.0
npm
ghost---shadow/vamos-hose
El repositorio no publica descripción.
AGPL-3.015 jul 2026 · métricas 2.10.0
—
thunlp-mt/dymean
This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
MIT17 jul 2026 · métricas 2.10.0
npm
milicazmarkovic/selfies-js
El repositorio no publica descripción.
Licencia propia5 sept 2026 · métricas 2.10.0