Alternatives and similar repositories for FeNNol:

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

• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆33Updated this week
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆40Updated 2 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆42Updated this week
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆32Updated 3 weeks ago
• imagdau / aseMolec
  ☆24Updated 10 months ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆70Updated this week
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆82Updated this week
• zincware / rdkit2ase
  ☆10Updated last week
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated last week
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆48Updated last month
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆15Updated 3 months ago
• zachglick / AP-Net
  AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
  ☆15Updated 4 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆36Updated last week
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆65Updated this week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆43Updated 5 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 6 months ago
• uiocompcat / tmQM
  tmQM dataset files
  ☆47Updated 6 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆33Updated last month
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆16Updated 5 months ago
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆17Updated this week
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated this week
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated 11 months ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆50Updated 3 weeks ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆45Updated last year
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆35Updated 5 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated last week
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆50Updated 2 years ago
• shivupa / QMMM_study_group
  QM/MM Study Group
  ☆13Updated 6 years ago
• mariogeiger / nequip-jax
  ☆22Updated last year
• molmod / yaff
  Yaff is yet another force-field code
  ☆32Updated 2 years ago