Alternatives and similar repositories for cuda_mace:

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

• mariogeiger / allegro-jax
  ☆21Updated last year
• mariogeiger / nequip-jax
  ☆23Updated last year
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆28Updated 3 weeks ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 5 months ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 7 months ago
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆20Updated 5 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated this week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆52Updated 2 weeks ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆23Updated last year
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 2 months ago
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆18Updated last month
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆18Updated 2 years ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆49Updated this week
• risi-kondor / GElib
  C++/CUDA library for SO(3) equivariant operations
  ☆23Updated this week
• atomicarchitects / phonax
  ☆21Updated last year
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆24Updated 2 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 9 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated last week
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆32Updated last month
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆19Updated 3 months ago
• ilyes319 / mfn
  ☆12Updated 11 months ago
• ChemAI-Lab / ofdft_nflows
  Nomalizing flows for orbita-free DFT
  ☆10Updated 7 months ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆38Updated 2 months ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆36Updated last year
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆45Updated 7 months ago
• 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…
  ☆13Updated 3 years ago