Alternatives and similar repositories for reciprocalspaceship

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

• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 11 months ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆83Updated last month
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated last month
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆119Updated last month
• nglviewer / mdsrv
  MD trajectory server
  ☆34Updated 2 years ago
• selimsami / qforce
  ☆60Updated last month
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆62Updated last week
• qubekit / QUBEKit
  Quantum Mechanical Bespoke Force Field Derivation Toolkit
  ☆101Updated last year
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆31Updated last week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated 4 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated 2 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆155Updated last month
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• qcscine / molassembler
  Chemoinformatics toolkit with support for inorganic molecules
  ☆41Updated 11 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆115Updated 6 years ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆79Updated this week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆203Updated this week
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆101Updated 3 months ago
• lab-cosmo / sketchmap
  Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
  ☆46Updated 10 months ago
• lpwgroup / torsiondrive
  Dihedral scanner with wavefront propagation
  ☆34Updated 3 months ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆83Updated this week
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 9 months ago
• TinkerTools / tinker-hp
  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
  ☆93Updated last month
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆144Updated this week
• RagnarB83 / ash
  ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…
  ☆76Updated this week
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated this week
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆121Updated 2 years ago
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆70Updated 5 months ago
• qcscine / sparrow
  ☆85Updated 11 months ago