sevencheung2021

ab-gen

awesome-ai4chem

Awesome AI for chemistry papers

CADD

好的CADD教程，资源总结

char-rnn

Multi-layer Recurrent Neural Networks (LSTM, GRU, RNN) for character-level language models in Torch

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

e3_diffusion_for_molecules_generation

GEM

iBook

收藏一些电子书

litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

PointGAT

this is the source code of PointGAT

sevencheung2021/PointGAT

this is the source code of PointGAT

sevencheung2021/ab-gen

sevencheung2021/awesome-ai4chem

Awesome AI for chemistry papers

sevencheung2021/CADD

好的CADD教程，资源总结

sevencheung2021/char-rnn

Multi-layer Recurrent Neural Networks (LSTM, GRU, RNN) for character-level language models in Torch

sevencheung2021/chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

sevencheung2021/e3_diffusion_for_molecules_generation

sevencheung2021/GEM

sevencheung2021/iBook

收藏一些电子书

sevencheung2021/litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

sevencheung2021/MFR

sevencheung2021/Molecule-RNN

A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.

sevencheung2021/molgpt

sevencheung2021/molvecgen

Molecular vectorization and batch generation

sevencheung2021/moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

sevencheung2021/pdb-tutorial

A simple tutorial about effectively using pdb

sevencheung2021/Point-Cloud_BIB

sevencheung2021/PubChemPy_2024

Python wrapper for the PubChem PUG REST API.

sevencheung2021/PythonEveryDay2024

sevencheung2021/smiles-gpt

Generative Pre-Training from Molecules

sevencheung2021/Uni-Mol

sevencheung2021/Uni-Mol_plus

Official Repository for the Uni-Mol Series Methods

sevencheung2021/vaemols

Variational Autoencoder for Molecules