Alternatives and similar repositories for openlam

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

• deepmodeling / CrystalFormer
  Space Group Informed Transformer for Crystalline Materials Generation
  ☆132Updated 6 months ago
• sail-sg / d4ft
  A JAX library for Density Functional Theory.
  ☆54Updated 2 months ago
• deepmodeling / deepks-kit
  a package for developing machine learning-based chemically accurate energy and density functional models
  ☆117Updated 9 months ago
• Hongyu-yu / T-e3nn
  Time-reversal Euclidean neural networks based on e3nn
  ☆17Updated last year
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆101Updated last week
• deepmodeling / dflow
  Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…
  ☆79Updated 2 weeks ago
• deepmodeling / dpgen2
  2nd generation of the Deep Potential GENerator
  ☆40Updated this week
• deepmodeling / ABACUS-agent-tools
  MCP tools to connect LLMs and ABACUS jobs
  ☆19Updated this week
• Open-Catalyst-Project / AdsorbML
  Corresponding dataset and tools for the AdsorbML manuscript.
  ☆43Updated last year
• SparkyTruck / deepmd-jax
  A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.
  ☆34Updated 2 weeks ago
• vertaix / LLM4Mat-Bench
  Code and data used to create and evaluate LLM4Mat-Bench
  ☆31Updated this week
• abacusmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆192Updated this week
• deepmodeling / dpti
  A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
  ☆31Updated last week
• bytedance / byteqc
  ☆112Updated 7 months ago
• deepmodeling / deepmd-gnn
  DeePMD-kit plugin for various graph neural network models
  ☆52Updated last week
• igor-1982 / rest
  ☆29Updated 6 months ago
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆98Updated last month
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆119Updated 3 years ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆138Updated 2 weeks ago
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆71Updated 11 months ago
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆40Updated this week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆93Updated this week
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆34Updated last year
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆187Updated last year
• sibasmarak / SymmCD
  ☆24Updated 2 months ago
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget and [arXiv'26] Phonon fine-tuning (PFT)
  ☆64Updated last week
• pyscf / gpu4pyscf
  A plugin to use Nvidia GPU in PySCF package
  ☆266Updated this week
• Open-Quantum-Platform / openqp
  The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.
  ☆47Updated 2 weeks ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆83Updated this week