wontleave

wontleave's Stars

• AminHP/gym-mtsim

  A general-purpose, flexible, and easy-to-use simulator alongside an OpenAI Gym trading environment for MetaTrader 5 trading platform (Approved by OpenAI Gym)

  Language:Python428107

• Farama-Foundation/Gymnasium

  An API standard for single-agent reinforcement learning environments, with popular reference environments and related utilities (formerly Gym)

  Language:Python6.9k774

• JFurness1/EnergyLeveller

  A python script to plot an energy level diagram from an input file.

  Language:Python277

• higgsfield/RL-Adventure

  Pytorch Implementation of DQN / DDQN / Prioritized replay/ noisy networks/ distributional values/ Rainbow/ hierarchical RL

  Language:Jupyter Notebook3k590

• windshadow233/python-chinese-chess

  A simple Chinese chess library written in python

  Language:Python3110

• phonopy/phonopy

  Phonon code

  Language:Python349218

• Quantum-Dynamics-Hub/libra-code

  Language:Roff4844

• openmopac/mopac

  Molecular Orbital PACkage

  Language:Fortran12032

• TUHH-TVT/openCOSMO-RS_py

  Language:Python5110

• ekwan/PyQuiver

  kinetic isotope effect prediction with Gaussian

  Language:Python146

• nwohlgemuth/ProgdynSuite

  ProgdynSuite is a program that interfaces with Gaussian09

  Language:C++53

• Psi4Education/psi4education

  Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.

  Language:Jupyter Notebook4030

• cp2k/cp2k

  Quantum chemistry and solid state physics software package

  Language:Fortran840383

• ahmedfgad/GeneticAlgorithmPython

  Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).

  Language:Python1.8k462

• theochem/tinydft

  A minimalistic atomic Density Functional Theory (DFT) code

  Language:Python11723

• luigibonati/deep-learning-slow-modes

  Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"

  Language:Roff1910

• QijingZheng/Hefei-NAMD

  ab-initio nonadiabatic molecular dynamics program

  Language:Fortran9351

• xtalopt/XtalOpt

  Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm

  Language:C++3822

• learningmatter-mit/NeuralForceField

  Neural Network Force Field based on PyTorch

  Language:Jupyter Notebook23450

• m3g/packmol

  Packmol - Initial configurations for molecular dynamics simulations

  Language:Fortran22251

• connorcoley/rexgen_direct

  Template-free prediction of organic reaction outcomes

  Language:Jupyter Notebook15068

• jparkhill/TensorMol

  Tensorflow + Molecules = TensorMol

  Language:Python27175

• deepmodeling/dpdata

  A Python package for manipulating atomistic data of software in computational science

  Language:Python195129

• deepmodeling/deepmd-kit

  A deep learning package for many-body potential energy representation and molecular dynamics

  Language:C++1.5k504

• eljost/pysisyphus

  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

  Language:Python9533

• FAIR-Chem/fairchem

  FAIR Chemistry's library of machine learning methods for chemistry

  Language:Python774243

• TUM-DAML/gemnet_tf

  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)

  Language:Python234

• SMTG-Bham/sumo

  Heavyweight plotting tools for ab initio calculations

  Language:Python19278

• mir-group/flare

  An open-source Python package for creating fast and accurate interatomic potentials.

  Language:Python28768

• chemprop/chemprop

  Message Passing Neural Networks for Molecule Property Prediction

  Language:Python1.7k576