tbwxmu's Stars
paolo-projects/auto-unlocker
Unlocker for VMWare macOS
Juan-VC-gh/Hackintosh-macOS-Dell-G7-7588
Dell G7 7588 Hackintosh using OpenCore. Day one macOS Monterey support. Guide at: https://juan-vc.github.io/oc-g7-guide/
GHDDI-AILab/Targeting2019-nCoV
Information sharing portal about nCov/SARS/MERS for drug discovery
bigchem/online-chem
Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.
stan-his/DeepFMPO
Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
ChenglongChen/pytorch-DRL
PyTorch implementations of various Deep Reinforcement Learning (DRL) algorithms for both single agent and multi-agent.
qfettes/DeepRL-Tutorials
Contains high quality implementations of Deep Reinforcement Learning algorithms written in PyTorch
hill-a/stable-baselines
A fork of OpenAI Baselines, implementations of reinforcement learning algorithms
MorvanZhou/pytorch-A3C
Simple A3C implementation with pytorch + multiprocessing
greydanus/baby-a3c
A high-performance Atari A3C agent in 180 lines of PyTorch
huluxiaohuowa/scaffold_network_generator
Scaffold Network Generator
wangzheng0822/algo
数据结构和算法必知必会的50个代码实现
xitu/gold-miner
🥇掘金翻译计划,可能是世界最大最好的英译中技术社区,最懂读者和译者的翻译平台:
bigchem/retrosynthesis
Applying deep neural networks for retrosynthesis tasks
521xueweihan/HelloGitHub
:octocat: 分享 GitHub 上有趣、入门级的开源项目。Share interesting, entry-level open source projects on GitHub.
wcatykid/Graph-Based-Molecular-Synthesis
Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.
SCM-NV/PLAMS
Python Library for Automating Molecular Simulations
wesleybeckner/gains
project that enables molecular design and computational screening of small molecules
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
xchem/fragalysis
A repo for analysis of ensembles of protein-ligand complexes
DEShawResearch/msys
Tools for preparation and analysis of systems for molecular dynamics.
MobleyLab/Lomap
Alchemical mutation scoring map
ckreibich/scholar.py
A parser for Google Scholar, written in Python
DrrDom/pmapper
3D pharmacophore signatures and fingerprints
jrwnter/mso
Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert
oroojlooy/RL_pytorch
An implementation of DQN/REINFORCE/AC algorithm via pytorch
higgsfield/RL-Adventure
Pytorch Implementation of DQN / DDQN / Prioritized replay/ noisy networks/ distributional values/ Rainbow/ hierarchical RL
pablomdata/rlpython
Materials for an introductory course on Reinforcement Learning in Python
facebookresearch/ReAgent
A platform for Reasoning systems (Reinforcement Learning, Contextual Bandits, etc.)
Sulstice/cocktail-shaker
A peptide string building for expanding chemical dataset combinations.