Alternatives and similar repositories for BERT-PSIE-TC:

Users that are interested in BERT-PSIE-TC are comparing it to the libraries listed below

• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 8 months ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆44Updated 5 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆25Updated last year
• WilmerLab / mofun
  ☆21Updated last year
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆49Updated last week
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆25Updated 5 months ago
• emmhald / open_metal_detector
  ☆26Updated 2 years ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆32Updated 4 years ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆23Updated 4 years ago
• tobacco-mofs / tobacco_1.0
  ☆16Updated 7 years ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆38Updated 4 months ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆24Updated last year
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆18Updated 3 months ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆11Updated 2 years ago
• TUHH-TVT / openCOSMO-RS_py
  ☆62Updated 3 weeks ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆33Updated 7 months ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆29Updated 3 years ago
• lcmd-epfl / cell2mol
  ☆26Updated last month
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated 8 months ago
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆36Updated 2 weeks ago
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆19Updated this week
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆41Updated 3 weeks ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆46Updated 7 months ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆48Updated 2 months ago
• MADICES / MADICES-2022
  This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
  ☆13Updated 2 years ago
• parkjunkil / ZeoDiff
  ☆16Updated 6 months ago
• leelasd / OPLSAA-DB
  Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…
  ☆32Updated 6 years ago
• panwarp / PyL3dMD
  PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package
  ☆28Updated 7 months ago
• arcann-chem / arcann_training
  An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
  ☆15Updated 3 months ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated last year