Alternatives and similar repositories for AdsMT

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

• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆34Updated 6 months ago
• Shen-Group / E2GNN
  ☆16Updated 7 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆31Updated 2 months ago
• parkjunkil / ZeoDiff
  ☆16Updated last month
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆30Updated 4 months ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆14Updated 2 years ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆29Updated 2 years ago
• mtap-research / CoRE-MOF-Tools
  ☆19Updated last week
• DeepSorption / DeepSorption1.0
  ☆12Updated last year
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆28Updated 10 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆29Updated 9 months ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆31Updated 2 weeks ago
• lzhelin / CrystalDiffusion
  ☆10Updated 5 months ago
• TRI-AMDD / PolyGen
  ☆16Updated last month
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆22Updated 8 months ago
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆20Updated 2 years ago
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆19Updated 3 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆60Updated 3 weeks ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆37Updated 4 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆21Updated 10 months ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆19Updated 2 months ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆19Updated 9 months ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆79Updated 2 years ago
• dptech-corp / Uni-MOF
  ☆27Updated last year
• imagdau / aseMolec
  ☆26Updated 2 weeks ago
• cc-ats / mlp_tutorial
  ☆29Updated last year
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 6 months ago