Alternatives and similar repositories for MOFFUSION:

Users that are interested in MOFFUSION are comparing it to the libraries listed below

• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆16Updated 2 years ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆32Updated 3 weeks ago
• jintuzhang / gnncv
  Descriptors-free Collective Variables From Geometric Graph Neural Networks.
  ☆10Updated last month
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆35Updated 8 months ago
• cuitaoyong / GPIP
  ☆13Updated 6 months ago
• parkjunkil / ZeoDiff
  ☆16Updated 6 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆35Updated this week
• arcann-chem / arcann_training
  An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
  ☆15Updated 3 months ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆45Updated last year
• dptech-corp / Uni-MOF
  ☆24Updated 11 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆18Updated 4 months ago
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆25Updated 6 months ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆24Updated last year
• manny405 / mcse
  Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
  ☆14Updated 2 years ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆37Updated 2 months ago
• DeepSorption / DeepSorption1.0
  ☆11Updated last year
• zhaoqy1996 / YARP
  ☆41Updated 2 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆39Updated 2 years ago
• MaxH1996 / PaiNN-in-PyG
  Implementing PaiNN in Pytorch Geometric
  ☆13Updated 2 years ago
• coudertlab / CoRE-MOF
  CoRE-MOF as a Python package
  ☆14Updated 2 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆17Updated 2 months ago
• owencqueen / PolymerGNN
  Polymer property prediction with GNNs and deep set learning.
  ☆15Updated last year
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆53Updated 3 months ago
• liyy2 / LSR-MP
  ☆14Updated last week
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆16Updated 8 months ago
• seonghann / tsdiff
  Diffusion model for transition state prediction
  ☆31Updated last year
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆69Updated this week
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆25Updated 5 months ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆29Updated 3 years ago