tbwxmu's Stars
astooke/accel_rl
Accelerated Methods for Deep Reinforcement Learning
astooke/rlpyt
Reinforcement Learning in PyTorch
volkamerlab/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
keiserlab/e3fp
3D molecular fingerprints
bowenliu16/rl_graph_generation
philtabor/Youtube-Code-Repository
Repository for most of the code from my YouTube channel
wenhao-gao/Mol_Generation
Molecular generation by reinforcement learning
google-research/google-research
Google Research
ShusenTang/Dive-into-DL-PyTorch
本项目将《动手学深度学习》(Dive into Deep Learning)原书中的MXNet实现改为PyTorch实现。
ratschlab/SOM-VAE
TensorFlow implementation of the SOM-VAE model as described in https://arxiv.org/abs/1806.02199
ddbourgin/numpy-ml
Machine learning, in numpy
tompollard/sammon
Sammon mapping in Python
dmlc/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
kevinid/molecule_generator
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
mingukkang/CVAE
Tensorflow Code for Conditional Variational AutoEncoder
OpenDrugAI/AttentiveFP
nyu-dl/dl4chem-geometry
itdxer/neupy
NeuPy is a Tensorflow based python library for prototyping and building neural networks
jaechanglim/CVAE
github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
jaechanglim/GNN_DTI
devnag/pytorch-generative-adversarial-networks
A very simple generative adversarial network (GAN) in PyTorch
insilicomedicine/BiAAE
Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
insilicomedicine/GENTRL
Generative Tensorial Reinforcement Learning (GENTRL) model
BioKT/MasterMSM
Python package for generating Markov state models
molecularsets/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
L1aoXingyu/pytorch-beginner
pytorch tutorial for beginners
ElwynWang/DeepFragLib
blackmints/3DGCN
Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
rdkit/mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
tencent-alchemy/Alchemy