Alternatives and similar repositories for MOF_ChemUnity

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

• mehradans92 / dZiner
  Chemist AI Agent for Rational Inverse Design of Materials
  ☆41Updated 9 months ago
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆29Updated last month
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆26Updated 7 months ago
• materials-data-facility / matchem-llm
  A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
  ☆100Updated last year
• DeepSorption / DeepSorption1.0
  ☆15Updated 2 years ago
• htang113 / Multi-task-electronic
  This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…
  ☆25Updated last year
• NREL / m2p
  ☆35Updated 5 months ago
• TRI-AMDD / PolyGen
  ☆25Updated 7 months ago
• Ramprasad-Group / canonicalize_psmiles
  Tool for the canonicalization of Polymer SMILES (P🙂) strings
  ☆34Updated last year
• TRI-AMDD / htp_md
  Shared repo for trajectory analysis and infrastructure development
  ☆23Updated last year
• qai222 / LLM_organic_synthesis
  ☆26Updated last year
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆20Updated last year
• rxn4chemistry / rxn-ir-to-structure
  Predicting molecular structure from Infrared (IR) Spectra
  ☆27Updated last year
• Henrium / MolSets
  Molecular graph deep sets learning for mixture property modeling.
  ☆30Updated 11 months ago
• eltonpan / zeosyn_dataset
  ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…
  ☆29Updated 3 months ago
• zhaoqy1996 / YARP
  ☆49Updated 3 years ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆134Updated last week
• webbtheosim / poly-topoGNN-vae
  ☆18Updated last year
• doncamilom / BOLLaMa
  ☆27Updated last year
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆114Updated last year
• learningmatter-mit / Chem-prop-pred
  Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
  ☆23Updated last year
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆47Updated last week
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆22Updated 3 years ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆15Updated 2 years ago
• guaguabujianle / DeepRelax
  ☆14Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆85Updated 2 years ago
• learningmatter-mit / liflow
  Flow matching for accelerated simulation of atomic transport
  ☆53Updated 2 months ago
• llnl / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆100Updated last year
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆35Updated 3 years ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆16Updated 3 years ago