Starred repositories
Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.
Simple, unified interface to multiple Generative AI providers
SMILES Pair Encoding: A data-driven substructure representation of chemicals
Deep learning algorithms for optical coherence tomography data.
Transfer learning / domain adaptation / domain generalization / multi-task learning etc. Papers, codes, datasets, applications, tutorials.-迁移学习
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A curated list of Python packages related to chemistry
MDAnalysis is a Python library to analyze molecular dynamics simulations.
TensorFlow's Visualization Toolkit
Stores documents used by the TensorFlow developer community
Models and examples built with TensorFlow