Alternatives and similar repositories for octopus:

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

• cambiegroup / flowchem
  Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.
  ☆15Updated last week
• Tarskin / HappyTools
  A tool for the (high-throughput) processing of HPLC data.
  ☆36Updated last year
• PistoiaAlliance / UDM
  The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…
  ☆18Updated 3 years ago
• Laboratoire-de-Chemoinformatique / SynPlanner
  Computer-aided synthesis planning
  ☆26Updated last week
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆35Updated 2 months ago
• lijikun / orca-linux-deployment
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆16Updated 6 months ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆16Updated this week
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆16Updated 3 years ago
• rnelsonchem / pHcalc
  Systematic pH calculation package for Python
  ☆36Updated last year
• rodolfokeesey / Liquid-Handler
  ☆22Updated 2 years ago
• darkreactions / ESCALATE
  ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…
  ☆20Updated 2 years ago
• RobinShannon / ChemDyME
  Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…
  ☆16Updated 3 years ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆32Updated 4 years ago
• whitead / marvis
  VMD Audio/Text control with natural language
  ☆19Updated 3 years ago
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 15 years ago
• MechWolf / MechWolf
  ⚙️🐺 Robotic chemistry made easy
  ☆31Updated 2 years ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 5 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆18Updated 5 months ago
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆41Updated 6 months ago
• Tsjerk / Backward
  Mapping from Coarse Grain Models to Atomistic (and Back)
  ☆15Updated last year
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• Chemios / chemios
  Chemios Framework 👨🏾‍🔬: Accelerating Science through Automation
  ☆36Updated 3 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 5 months ago
• raghurama123 / Comp_PhysChem_Basic
  A mini-course offered to Undergrad chemistry students
  ☆21Updated 3 years ago
• supramolecular-toolkit / stk
  Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.
  ☆21Updated 2 years ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆15Updated 10 months ago
• jyosa / MaPhi
  MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.
  ☆14Updated 2 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated this week