Alternatives and similar repositories for sigma:

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

• usnistgov / COSMOSAC
  A Benchmark Implementation of COSMO-SAC
  ☆57Updated last month
• TUHH-TVT / openCOSMO-RS_py
  ☆66Updated 2 weeks ago
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆42Updated 6 years ago
• NREL / m2p
  ☆28Updated 7 months ago
• TUHH-TVT / openCOSMO-RS_conformer_pipeline
  ☆19Updated last month
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆13Updated 2 years ago
• TUHH-TVT / openCOSMO-RS_cpp
  ☆14Updated 7 months ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆34Updated 8 months ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆62Updated 10 months ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆56Updated 2 months ago
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆52Updated last week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆58Updated 7 months ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆46Updated 8 months ago
• zhaoqy1996 / YARP
  ☆42Updated 2 years ago
• Isra3l / ligpargen
  ☆62Updated 3 months ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆37Updated 7 months ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆15Updated 10 months ago
• simonmb / fragmentation_algorithm
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆21Updated 3 weeks ago
• uiocompcat / tmQM
  tmQM dataset files
  ☆52Updated last week
• CMMRLab / LUNAR
  ☆28Updated this week
• grimme-lab / xtb_docs
  ☆34Updated last week
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆68Updated last month
• PEESEgroup / Pure-Component-Property-Estimation
  ☆27Updated 2 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆51Updated last year
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆20Updated 4 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆62Updated 8 months ago
• iRASPA / RUPTURA
  ☆31Updated 2 months ago
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆46Updated this week
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆85Updated this week
• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆46Updated this week