Alternatives and similar repositories for Mat2Spec:

Users that are interested in Mat2Spec are comparing it to the libraries listed below

• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆35Updated 8 months ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆68Updated 2 years ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆27Updated 2 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 2 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆55Updated 2 years ago
• Tinystormjojo / geo-CGNN
  ☆33Updated 7 months ago
• zhenpengyao / Supramolecular_VAE
  ☆31Updated 4 years ago
• hyllios / CGAT
  Crystal graph attention neural networks for materials prediction
  ☆27Updated last year
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆79Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆33Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆69Updated last year
• hoffmannjordan / Encoding-Decoding-3D-Crystals
  "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…
  ☆35Updated 5 years ago
• asmanouira / CrystalGAN
  Learning to Discover Crystallographic Structures with Generative Adversarial Networks
  ☆37Updated 5 years ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆49Updated 9 months ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆39Updated 2 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• RishikeshMagar / OGCNN
  Crystal graph convolutional neural networks for predicting material properties.
  ☆31Updated 2 years ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆23Updated last month
• hhaoyan / mbtr
  A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)
  ☆12Updated 2 years ago
• CJBartel / TestStabilityML
  ☆27Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆20Updated last year
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆63Updated last month
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆45Updated last year
• pfnet-research / charge_transfer_nnp
  Graph neural network potential with charge transfer
  ☆34Updated 2 years ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆43Updated 5 months ago
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• lrcfmd / ipcsp
  Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
  ☆47Updated last year
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆25Updated last year
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆50Updated last week