Alternatives and similar repositories for hplc-py

Users that are interested in hplc-py are comparing it to the libraries listed below

• Bayer-Group / MOCCA
  ☆24Updated last month
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆42Updated 9 months ago
• willfinnigan / kinetics
  Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions
  ☆31Updated 3 weeks ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆101Updated 8 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆151Updated 2 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆71Updated last year
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆155Updated last month
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆115Updated this week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆153Updated 5 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆73Updated this week
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆76Updated last month
• evanyeyeye / rainbow
  Read chromatography and mass spectrometry binary files.
  ☆42Updated 6 months ago
• qcxms / QCxMS
  Quantum mechanic mass spectrometry calculation program
  ☆46Updated 7 months ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆191Updated 3 weeks ago
• novonordisk-research / OptiHPLCHandler
  Simplified Python SDK for interacting with the Waters Empower Web API
  ☆17Updated last week
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆60Updated last month
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆72Updated this week
• NIEHS / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆76Updated 8 months ago
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆253Updated last year
• novonordisk-research / ProcessOptimizer
  A tool to optimize real world problems
  ☆101Updated this week
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆174Updated last month
• whitead / molcloud
  Make a bunch of molecules
  ☆96Updated 7 months ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆229Updated 2 weeks ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆57Updated this week
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆74Updated last year
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆149Updated 3 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆19Updated last month
• pnnl / nmrfit
  Quantitative NMR analysis through least-squares fit of spectroscopy data
  ☆11Updated 5 years ago
• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆58Updated last month
• mordred-descriptor / mordred-web
  mordred web interface
  ☆16Updated 2 years ago