OpenChem
OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend.
README
OpenChem OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend. The goal of OpenChem is to make Deep Learning models an easy-to-use tool for Computational Chemistry and Drug Design Researchers. Main features Modular design with unified API, modules can be easily combined with each other. OpenChem is easy-to-use: new models are built with only configuration file. Fast training with multi-gpu support. Utilities for data preprocessing. Tensorboard support.…
- Repository
- github.com/mariewelt/openchem
Source attribution
- Awesome Cheminformatics — github.com/mariewelt/openchem
- GitHub — github.com/mariewelt/openchem
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