tzyii's starred repositories
Python-100-Days
Python - 100天从新手到大师
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
aizynthfinder
A tool for retrosynthetic planning
chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
smiles-transformer
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
cheminformatics
Facilitates searching, screening, and organizing large chemical databases
py4chemoinformatics
Python for chemoinformatics
SolTranNet
Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility