Alternatives and similar repositories for SevenNet

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

• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆153Updated last month
• janosh / matbench-discovery
  An evaluation framework for machine learning models simulating high-throughput materials discovery.
  ☆197Updated 2 weeks ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆54Updated last month
• BingqingCheng / cace
  ☆101Updated last week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆74Updated this week
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆166Updated 2 weeks ago
• QuantumLab-ZY / HamGNN
  An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
  ☆125Updated last week
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆78Updated 5 months ago
• CederGroupHub / chgnet
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
  ☆334Updated last month
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆150Updated last year
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆170Updated last year
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆129Updated 2 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆126Updated 2 weeks ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆125Updated last week
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• usnistgov / alignn
  Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary
  ☆285Updated 2 months ago
• ICAMS / python-ace
  ☆98Updated 11 months ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆124Updated last week
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆248Updated this week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆218Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆93Updated last year
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆120Updated last month
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆277Updated 2 weeks ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆140Updated 3 weeks ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆110Updated 3 weeks ago
• TorchSim / torch-sim
  Torch-native, batchable, atomistic simulations.
  ☆327Updated last week
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆66Updated 3 years ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆240Updated 7 months ago
• materialsvirtuallab / matpes
  A foundational potential energy dataset for materials
  ☆43Updated 3 weeks ago
• tobacco-mofs / tobacco_3.0
  ☆64Updated 4 years ago