jinvk31

jinvk31's Stars

• ACEsuit/mace

  MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

  Language:Python542200

• CederGroupHub/chgnet

  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

  Language:Python25266

• mir-group/nequip

  NequIP is a code for building E(3)-equivariant interatomic potentials

  Language:Python631139

• leelasd/LigParGen-CommandFiles

  Command files needed to install LigParGen locally

  142

• rktjmp/lush.nvim

  Create Neovim themes with real-time feedback, export anywhere.

  Language:Lua1.5k47

• paduagroup/fftool

  Tool to build force field input files for molecular simulation

  Language:Python14958

• jenskutilek/homecomputer-fonts

  Variable fonts based on the Commodore 64 and Amiga fonts.

  Language:HTML1454

• Swordfish90/cool-retro-term

  A good looking terminal emulator which mimics the old cathode display...

  Language:QML22.4k851

• MDIL-SNU/AMP2

  Language:Python2011

• lammps/lammps

  Public development project of the LAMMPS MD software package

  Language:C++2.2k1.7k

• FAIR-Chem/fairchem

  FAIR Chemistry's library of machine learning methods for chemistry

  Language:Python876258

• ilguyi/LAIDD-molecular-generation

  Language:Jupyter Notebook168

• MDIL-SNU/SevenNet

  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.

  Language:Python13115

• hspark1212/MOFTransformer

  Universal Transfer Learning in Porous Materials, including MOFs.

  Language:Python8613

• kefirski/pytorch_RVAE

  Recurrent Variational Autoencoder that generates sequential data implemented with pytorch

  Language:Python35787

• timbmg/Sentence-VAE

  PyTorch Re-Implementation of "Generating Sentences from a Continuous Space" by Bowman et al 2015 https://arxiv.org/abs/1511.06349

  Language:Python587153

• gaborvecsei/Neural-Network-Dreams

  Learning an abstract representation of the word which is called the dream

  Language:Jupyter Notebook54

• georgezefko/Anomaly-Detection-for-Sequential-Data

  Implementation of 2 VAE architectures with LSTM and GRU for anomaly detection on sequential data

  Language:Jupyter Notebook213

• maxhodak/keras-molecules

  Autoencoder network for learning a continuous representation of molecular structures.

  Language:Python520146

• Ishan-Kumar2/Molecular_VAE_Pytorch

  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

  Language:Python279

• MatDagommer/chemvae-torch

  Pytorch implementation of ChemVAE (molecule generation framework).

  Language:Python1

• aspuru-guzik-group/chemical_vae

  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

  Language:Python492183

• CompVis/latent-diffusion

  High-Resolution Image Synthesis with Latent Diffusion Models

  Language:Jupyter Notebook11.9k1.5k

• MolecularAI/aizynthfinder

  A tool for retrosynthetic planning

  Language:Python589135