Alternatives and similar repositories for paper-data-redundancy

Users that are interested in paper-data-redundancy are comparing it to the libraries listed below

• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆20Updated 7 months ago
• mir-group / nequip-input-files
  Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…
  ☆13Updated 3 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆32Updated 2 years ago
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆37Updated 11 months ago
• good4488 / ZeoGAN
  Zeolite GAN
  ☆22Updated 4 years ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆18Updated 2 years ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆13Updated last month
• lzhelin / CrystalDiffusion
  ☆10Updated 4 months ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆18Updated 2 years ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆19Updated 8 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆33Updated 5 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆46Updated 8 months ago
• NU-CUCIS / ALIGNNTL
  ☆10Updated last year
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last month
• learningmatter-mit / surface-sampling
  MCMC-based algorithm for sampling surface reconstructions
  ☆28Updated last month
• jenna-fromer / qPO
  ☆14Updated 4 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆26Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆39Updated last week
• TRI-AMDD / PolyGen
  ☆14Updated this week
• michaeldalverson / CrysTens
  ☆24Updated 8 months ago
• imagdau / aseMolec
  ☆25Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆76Updated 2 years ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆31Updated 3 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆30Updated 3 years ago
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆46Updated last week
• Shen-Group / E2GNN
  ☆15Updated 6 months ago