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
  ☆30Updated this week
• imagdau / aseMolec
  ☆23Updated 9 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆55Updated this week
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆28Updated 9 months ago
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆47Updated 3 weeks ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆41Updated last month
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆17Updated this week
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated 10 months ago
• uiocompcat / tmQM
  tmQM dataset files
  ☆46Updated 5 months ago
• zincware / rdkit2ase
  ☆10Updated this week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆30Updated last week
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆39Updated last month
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆80Updated this week
• mariogeiger / nequip-jax
  ☆21Updated last year
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆66Updated 3 weeks ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆14Updated 2 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆33Updated last month
• zhaoqy1996 / YARP
  ☆39Updated 2 years ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆25Updated last year
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆14Updated 2 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last month
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities
  ☆32Updated this week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆14Updated 5 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆50Updated 2 years ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆64Updated last week
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆50Updated last week
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆14Updated 2 years ago
• chimie-paristech-CTM / TS-tools
  This is the repository corresponding to the TS-tools project.
  ☆21Updated 2 months ago
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆33Updated 4 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆48Updated 8 months ago