Alternatives and similar repositories for alebrew

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

• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆12Updated last year
• ilyes319 / mace-tutorials-csc
  ☆11Updated last year
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆36Updated last year
• ChengUCB / les
  ☆31Updated last week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• metatensor / metatrain
  Train, fine-tune, and manipulate machine learning models for atomistic systems
  ☆50Updated this week
• 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
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆50Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆45Updated last week
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆57Updated 4 months ago
• jla-gardner / augment-atoms
  dataset augmentation for atomistic machine learning
  ☆21Updated 3 weeks ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated last year
• mir-group / nequip-input-files
  Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…
  ☆14Updated 5 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last month
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 7 months ago
• stefanbringuier / ORB-LAMMPS-PATCH
  Adds Orb Model functionality to LAMMPS via Python wrapping
  ☆15Updated 8 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• THGLab / NewtonNet
  A Newtonian message passing network for deep learning of interatomic potentials and forces
  ☆45Updated 5 months ago
• 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
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated 2 weeks ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated last year
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆74Updated last week
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆53Updated this week
• BlauGroup / HiPRGen
  ☆27Updated last year
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆38Updated 11 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 3 years ago
• dario-coscia / blip
  This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)
  ☆28Updated 3 months ago
• lanl / ALF
  A framework for performing active learning for training machine-learned interatomic potentials.
  ☆39Updated last month
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆68Updated 6 months ago
• imagdau / aseMolec
  ☆32Updated 2 months ago