Phorbol's Stars
joonspk-research/generative_agents
Generative Agents: Interactive Simulacra of Human Behavior
microsoft/Mastering-GitHub-Copilot-for-Paired-Programming
An 8 Lesson course teaching everything you need to know about harnessing GitHub Copilot and an AI Paired Programing resource.
tensorflow/minigo
An open-source implementation of the AlphaGoZero algorithm
rdkit/rdkit
The official sources for the RDKit library
snap-stanford/ogb
Benchmark datasets, data loaders, and evaluators for graph machine learning
opendilab/PPOxFamily
PPO x Family DRL Tutorial Course(决策智能入门级公开课:8节课帮你盘清算法理论,理顺代码逻辑,玩转决策AI应用实践 )
opendilab/LightZero
[NeurIPS 2023 Spotlight] LightZero: A Unified Benchmark for Monte Carlo Tree Search in General Sequential Decision Scenarios (awesome MCTS)
pyg-team/pytorch-frame
Tabular Deep Learning Library for PyTorch
chaitjo/geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
isayev/ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
deepmodeling/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
rouyang2017/SISSO
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
datawhalechina/sora-tutorial
tblite/tblite
Light-weight tight-binding framework
chr26195/PMLP
This is the official code repository for "Graph Neural Networks are Inherently Good Generalizers: Insights by Bridging GNNs and MLPs", which is accepted to ICLR 2023.
paulalmasan/DRL-GNN-PPO
PPO implementation of the DRL agent used in the paper "Deep Reinforcement Learning meets Graph Neural Networks: exploring a routing optimization use case"
rxn4chemistry/OpenNMT-py
RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
hellozhaoming/FCP-vasp-ase
ASE interface for fully constant potential with VASP
BlauGroup/HiPRGen
QuantumMisaka/ATST-Tools
Advanced ASE Transition State Tools for ABACUS and Deep-Potential
jjgoings/chem_interp
use interpretable machine learning to explain chemical reactions
jjgoings/rlci
reinforcement learning configuration interaction
lasphub/MMLPS
CFEL-CMI/Active-Learning-of-PES
ALPES: Stochastic active learning of potential energy surfaces.
lasphub/AI-Cat
AI Cat for heterogenous reaction mechanism prediction
ss0832/BiasPotPy
An optimizer for quantum chemical calculation including artificial force induced reaction method
learningmatter-mit/Zeolite-Binding-Benchmark
Data for the article "Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites"
lenhanpham/PIP-NN-PyTorch-Tutorial
A Tutorial of Permutation Invariant Polynomial Neural Network (PIP-NN), implemented in PyTorch.
jjgoings/gym-muller_brown
OpenAI Gym compatible environment for Reinforcement Learning on the Muller Brown potential energy surface
haoran-ni/MasterThesis
Original codes of my master thesis