Alternatives and similar repositories for StABlE-Training

Users that are interested in StABlE-Training are comparing it to the libraries listed below

• mariogeiger / nequip-jax
  ☆23Updated last year
• ChengUCB / les
  ☆23Updated last month
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆35Updated 7 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆47Updated 10 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆53Updated last week
• ASK-Berkeley / MLFF-distill
  [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …
  ☆18Updated 3 months ago
• balintmate / neural-thermodynamic-integration
  ☆11Updated 5 months ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆72Updated this week
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆59Updated 2 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 2 years ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆41Updated this week
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 5 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…
  ☆60Updated 3 weeks ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆49Updated this week
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆42Updated 6 months ago
• imagdau / aseMolec
  ☆28Updated 2 weeks ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆57Updated this week
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆99Updated last week
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆32Updated last year
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆52Updated 4 months ago
• THGLab / NewtonNet
  A Newtonian message passing network for deep learning of interatomic potentials and forces
  ☆44Updated last month
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆46Updated 7 months ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 9 months ago
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆32Updated this week
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 8 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆16Updated 7 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆36Updated 3 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated last month