Harrydirk41's Stars
DeepGraphLearning/CGCF-ConfGen
:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
snap-stanford/GraphRNN
MinkaiXu/GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
gaoliyao/Replica_Exchange_Stochastic_Gradient_MCMC
Code for Non-convex Learning via Replica Exchange Stochastic Gradient MCMC, ICML 2020.
DeepGraphLearning/ConfGF
Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
openai/multiagent-particle-envs
Code for a multi-agent particle environment used in the paper "Multi-Agent Actor-Critic for Mixed Cooperative-Competitive Environments"
jiechuanjiang/pytorch_DGN
The pytorch implementation of DGN on grid world and Starcraft
PKU-RL/DGN
DGN Code
011235813/hierarchical-marl
Hierarchical Cooperative Multi-Agent Reinforcement Learning with Skill Discovery
nikhilbarhate99/Hierarchical-Actor-Critic-HAC-PyTorch
PyTorch implementation of Hierarchical Actor Critic (HAC) for OpenAI gym environments
geek-ai/MAgent
A Platform for Many-Agent Reinforcement Learning
sisl/MADRL
Repo containing code for multi-agent deep reinforcement learning (MADRL).
google-deepmind/graph_nets
Build Graph Nets in Tensorflow
google-deepmind/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
PKUterran/MoleculeClub
Reproduction of HamNet, PhysChem and other models on small molecules
jsyoon0823/TimeGAN
Codebase for Time-series Generative Adversarial Networks (TimeGAN) - NeurIPS 2019
biomed-AI/MolRep
MolRep: A Deep Representation Learning Library for Molecular Property Prediction
Allen-Tildesley/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.
kyonofx/mlcgmd
[TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
xmwebb/GBCG
atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
0xsanny/transformers
A collection of resources to study Transformers in depth.
thunlp/GNNPapers
Must-read papers on graph neural networks (GNN)
npaulson/UnaryBayes
A Bayesian framework for the selection, calibration and uncertainty quantification of thermodynamic property models
acerbilab/bads
Bayesian Adaptive Direct Search (BADS) optimization algorithm for model fitting in MATLAB
msurtsukov/neural-ode
Jupyter notebook with Pytorch implementation of Neural Ordinary Differential Equations
ChenglongChen/pytorch-DRL
PyTorch implementations of various Deep Reinforcement Learning (DRL) algorithms for both single agent and multi-agent.
dtak/mbrl-smdp-ode
PyTorch implementation of "Model-based Reinforcement Learning for Semi-Markov Decision Processes with Neural ODEs", NeurIPS 2020
txzhao/rl-zoo
PyTorch implementation of various reinforcement learning algorithms
MiuLab/DDQ
Deep Dyna-Q: Integrating Planning for Task-Completion Dialogue Policy Learning