ATOMScience-org/AMPL

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

语言：Jupyter Notebook · GitHub 星标：150 · Fork：72

话题：cheminformatics · chemistry · chemistry-discovery · machine-learning · math-physics · nci-doe-collaboration-capability · neural-network · python

在 GitHub 上查看原仓库