Alternatives and similar repositories for GotenNet

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

• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆60Updated last year
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆140Updated last year
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆56Updated last month
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆113Updated last year
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆125Updated 5 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆51Updated 5 months ago
• general-molecular-simulations / so3lr
  SO3krates and Universal Pairwise Force Field for Molecular Simulation
  ☆142Updated last week
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆65Updated 8 months ago
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆51Updated 2 years ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆133Updated 7 months ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated 2 years ago
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆62Updated this week
• atomicarchitects / DeNS
  [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆38Updated 9 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆95Updated last year
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆56Updated 2 years ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆106Updated 3 weeks ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆85Updated 2 years ago
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆79Updated last year
• openmm / spice-dataset
  A collection of QM data for training potential functions
  ☆186Updated 8 months ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆112Updated this week
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆37Updated 3 weeks ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated last year
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆66Updated 5 months ago
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• learningmatter-mit / liflow
  Flow matching for accelerated simulation of atomic transport
  ☆46Updated 3 weeks ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆91Updated last week
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆134Updated last month
• yuanqidu / LeftNet
  ☆59Updated 11 months ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆79Updated 3 years ago