Alternatives and similar repositories for alebrew

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

• ChengUCB / les
  ☆27Updated 2 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆48Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆43Updated this week
• metatensor / metatrain
  Train, fine-tune, and manipulate machine learning models for atomistic systems
  ☆45Updated last week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• jla-gardner / augment-atoms
  dataset augmentation for atomistic machine learning
  ☆20Updated 4 months ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated last year
• stefanbringuier / ORB-LAMMPS-PATCH
  Adds Orb Model functionality to LAMMPS via Python wrapping
  ☆15Updated 6 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆50Updated last month
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆31Updated 11 months ago
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆46Updated this week
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆54Updated 3 months ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 6 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆36Updated 10 months ago
• ilyes319 / mace-tutorials-csc
  ☆11Updated last year
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆22Updated last year
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆20Updated 10 months ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆12Updated last year
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆28Updated 4 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated 3 weeks ago
• 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
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆47Updated 2 weeks ago
• imagdau / aseMolec
  ☆30Updated last month
• lab-cosmo / atomistic-cookbook
  A collection of simulation recipes for the atomic-scale modeling of materials and molecules
  ☆30Updated this week
• deepmodeling / dftio
  dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…
  ☆12Updated 2 weeks ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆61Updated this week
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆70Updated 2 months ago
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆44Updated 3 months ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆35Updated last year
• dario-coscia / blip
  This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)
  ☆28Updated 2 months ago