Alternatives and similar repositories for OMatG

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

• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆74Updated 7 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆41Updated last year
• vldgroup / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆119Updated last month
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆70Updated 11 months ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆57Updated 3 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆39Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆86Updated 2 years ago
• learningmatter-mit / liflow
  Flow matching for accelerated simulation of atomic transport
  ☆55Updated 3 months ago
• zhenpengyao / Supramolecular_VAE
  ☆35Updated 4 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆50Updated last year
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆82Updated 3 years ago
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆45Updated last year
• gomes-lab / Mat2Spec
  ☆29Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆36Updated 2 years ago
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆55Updated 2 months ago
• matbench-submission-coGN / CrystalGNNs
  ☆11Updated 2 years ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆34Updated last year
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆61Updated 2 weeks ago
• imagdau / aseMolec
  ☆32Updated 3 months ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆49Updated 2 years ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆83Updated this week
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆130Updated 7 months ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆19Updated 3 years ago
• materialyzeai / matpes
  A foundational potential energy dataset for materials
  ☆49Updated 2 weeks ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆27Updated 9 months ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆80Updated last month
• lanl / ALF
  A framework for performing active learning for training machine-learned interatomic potentials.
  ☆39Updated 2 months ago
• Shen-Group / E2GNN
  ☆24Updated last year
• atomicarchitects / DeNS
  [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆39Updated 11 months ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆28Updated 3 years ago