Alternatives and similar repositories for angstrom

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

• whitead / ternviz
  ☆11Updated last year
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆55Updated this week
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆24Updated 3 years ago
• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆16Updated 2 years ago
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 8 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated last week
• victor-gil-sepulveda / pyRMSD
  pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…
  ☆27Updated 4 years ago
• lpwgroup / torsiondrive
  Dihedral scanner with wavefront propagation
  ☆34Updated 2 months ago
• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆63Updated 2 months ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• chrisjsewell / PyGauss
  An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
  ☆26Updated 2 years ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated last month
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆79Updated 10 months ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆26Updated 4 years ago
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆62Updated this week
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆48Updated 8 months ago
• VHchavez / moly
  Molecular Visualization powered by Plotly
  ☆17Updated 2 years ago
• aoterodelaroza / nciplot
  Non-covalent index plots in molecular systems.
  ☆20Updated 7 years ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated last year
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆52Updated 2 months ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 9 months ago
• insilichem / esigen
  Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io
  ☆21Updated 6 years ago
• SimonBoothroyd / smee
  Differentiably evaluate energies using SMIRNOFF force fields
  ☆17Updated 7 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated last year
• scotthartley / blmol
  A script for importing molecular geometries into Blender
  ☆36Updated 3 years ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆32Updated 11 months ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆37Updated 3 years ago
• Edinburgh-Chemistry-Teaching / Data-driven-chemistry
  ☆28Updated last year
• selimsami / qforce
  ☆60Updated last week