Alternatives and similar repositories for Atom2Vec:

Users that are interested in Atom2Vec are comparing it to the libraries listed below

• BingqingCheng / ML-in-chemistry-101
  The course materials for "Machine Learning in Chemistry 101"
  ☆74Updated 4 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆58Updated 2 years ago
• usccolumbia / mtransformer
  Materials Transformers
  ☆25Updated 2 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆19Updated 9 months ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆26Updated 3 years ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆71Updated 2 years ago
• aiqm / ANI1x_datasets
  The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
  ☆63Updated 2 years ago
• 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
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆46Updated last year
• cyye001 / Con-CDVAE
  ☆26Updated 4 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆73Updated 2 years ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆51Updated 3 months ago
• PV-Lab / FTCP
  FTCP code
  ☆33Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆18Updated last year
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆18Updated 9 months ago
• anthony-wang / CrabNet
  Predict materials properties using only the composition information!
  ☆101Updated last year
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆77Updated this week
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆37Updated last month
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆94Updated 9 months ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆14Updated 2 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• 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 …
  ☆17Updated 3 years ago
• tobacco-mofs / tobacco_3.0
  ☆53Updated 3 years ago
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆58Updated last year
• materialsproject / reaction-network
  Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …
  ☆107Updated last month
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago