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
  ☆27Updated 2 months ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆52Updated 2 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆63Updated this week
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://arxiv.org/abs/2509.…
  ☆77Updated last week
• balintmate / neural-thermodynamic-integration
  ☆12Updated 8 months ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆74Updated 2 weeks ago
• ASK-Berkeley / MLFF-distill
  [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …
  ☆20Updated 6 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆36Updated 10 months ago
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆19Updated last week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆48Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated 11 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆37Updated last week
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆55Updated last month
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆96Updated last week
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆47Updated 2 weeks ago
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆19Updated last month
• imagdau / aseMolec
  ☆30Updated 3 weeks ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆48Updated 8 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆54Updated last month
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 11 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆60Updated last week
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆110Updated 3 weeks ago
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆61Updated last week
• lab-cosmo / flashmd
  A universal ML model to predict molecular dynamics trajectories with long time steps
  ☆22Updated this week
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated 2 years ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆79Updated 3 years ago
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆44Updated last week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• mariogeiger / allegro-jax
  ☆22Updated 5 months ago