Topics / #drug-discovery

Drug-discovery projects on GitHub

Machine learning workflows that accelerate pharmaceutical research.

As of , the most-starred Drug-discovery projects on GitHub are scientific-agent-skills (54.7K stars), DeepLearningExamples (14.9K stars) and feynman (10K stars). GitHub.Locker tracks 5 Drug-discovery repositories with 80.4K stars combined. The fastest-growing on October 25 was scientific-agent-skills, with +169 stars in a day.

5Projects
80.4KStars in total
+204Stars in a day
Browse in the catalog →github.com/topics/drug-discovery ↗

Hot right now

Most stars gained in a day · Oct 25

+169

scientific-agent-skills

K-Dense-AI/scientific-agent-skills · ★ 54.7K

Scientific Agent Skills is a library of 163 ready-to-use scientific and research skills that plug into any AI agent supporting the open Agent Skills standard, turning that agent into a research assistant for biology, chemistry, medicine, physics, and more.

+24

RFD4-Proteina

RosettaCommons/RFD4-Proteina · ★ 440

RFD4-Proteina is a flow-matching foundation model for generative protein and biomolecular design from the Baker Lab and NVIDIA GenAIR. It does sequence-structure co-design with motif, binding-site, and reward-guided conditioning for tasks like binders, antibodies, enzymes, and small-molecule pockets.

+8

feynman

Companion-Inc/feynman · ★ 10K

An open source AI research agent: a terminal app that searches papers, runs literature reviews and deep-research workflows, and links every claim back to its sources.

+3

bioemu2

microsoft/bioemu2 · ★ 422

BioEmu2 (biomolecular emulator) is a foundation model from Microsoft Research AI for Science that predicts folded protein/nucleic-acid structures, samples equilibrium structural ensembles, and propagates structures forward in time.

The all-time top

5 projects · by stars

  1. #1 · K-Dense-AI/scientific-agent-skills

    scientific-agent-skills

    Scientific Agent Skills is a library of 163 ready-to-use scientific and research skills that plug into any AI agent supporting the open Agent Skills standard, turning that agent into a research assistant for biology, chemistry, medicine, physics, and more.

    54.7K
  2. #2 · NVIDIA/DeepLearningExamples

    DeepLearningExamples

    A collection of NVIDIA-maintained, state-of-the-art deep learning reference implementations across computer vision, NLP, recommenders, speech, and more, tuned for reproducible accuracy and performance on NVIDIA Tensor Core GPUs.

    14.9K
  3. #3 · Companion-Inc/feynman

    feynman

    An open source AI research agent: a terminal app that searches papers, runs literature reviews and deep-research workflows, and links every claim back to its sources.

    10K
  1. 4

    RFD4-Proteina

    440RosettaCommons/RFD4-Proteina · Python

    RFD4-Proteina is a flow-matching foundation model for generative protein and biomolecular design from the Baker Lab and NVIDIA GenAIR. It does sequence-structure co-design with motif, binding-site, and reward-guided conditioning for tasks like binders, antibodies, enzymes, and small-molecule pockets.

  2. 5

    bioemu2

    422microsoft/bioemu2 · Python

    BioEmu2 (biomolecular emulator) is a foundation model from Microsoft Research AI for Science that predicts folded protein/nucleic-acid structures, samples equilibrium structural ensembles, and propagates structures forward in time.

Often tagged together