Alternatives and similar repositories for 3DSC

Users that are interested in 3DSC are comparing it to the libraries listed below

• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆27Updated 2 years ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆36Updated 11 months ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆13Updated 9 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 3 weeks ago
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated 2 months ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆55Updated 3 weeks ago
• gomes-lab / Mat2Spec
  ☆28Updated 3 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆21Updated 10 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 11 months ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 4 months ago
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆26Updated 2 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated 2 years ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• CederGroupHub / SynthesisSimilarity
  ☆29Updated last year
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆41Updated 8 months ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated last year
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 4 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆27Updated 8 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆46Updated 8 months ago
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆31Updated last week
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated last month
• atomicarchitects / phonax
  ☆21Updated last year
• mir-group / allegro-pol
  ☆19Updated last month
• lmj1029123 / SingleNN
  SingleNN, a NN potential for energy and forces
  ☆9Updated 3 years ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆72Updated 3 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆32Updated 2 years ago
• ncfrey / pytopomat
  Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
  ☆28Updated 3 years ago
• antoniuk1 / SynthNN
  ☆16Updated last year
• mir-group / CiderPress
  A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework
  ☆12Updated last week