MolecularAI /AiZynthFinder
Retrosynthetic route planning
★ 894 · Updated 6mo ago · MIT · Curieus
ScreenShot: A Foundation Model for Few-Shot Combination Drug Screening
The paper or list names a code repository. The repository itself was not opened.
The year the source list gave; the exact date was not checked.
MolecularAI /AiZynthFinder
Retrosynthetic route planning
★ 894 · Updated 6mo ago · MIT · Curieus
GT4SD /gt4sd-core
Scientific discovery hypothesis generation toolkit
★ 378 · Updated 7w ago · MIT
t7morgen /MISATO
No description
★ 255 · Updated 5mo ago · LGPL-2
NVIDIA-Digital-Bio /GenMol
SAFE-based fragment molecular generation
★ 202 · Updated 9mo ago · Licence unknown
chao1224 /ChatDrug
LLM for Drug Editing, ICLR 2024
★ 163 · Updated 2y ago · Licence unknown
argonne-lcf /ChemGraph
Agentic framework for computational chemistry and materials science workflows
★ 157 · Updated 5w ago · Apache