cgohlke / molmassLinks
Molecular mass calculations.
☆63Updated last month
Alternatives and similar repositories for molmass
Users that are interested in molmass are comparing it to the libraries listed below
Sorting:
- Jupyter Notebooks and supporting files for incorporating Python programming into a lower division analytical chemistry course☆9Updated 2 years ago
- Quantitative NMR analysis through least-squares fit of spectroscopy data☆11Updated 5 years ago
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆47Updated 3 years ago
- A Python utility for the processing and quantification of chromatography data☆46Updated 8 months ago
- Systematic pH calculation package for Python☆37Updated last year
- mmCIF Core Access Library☆43Updated this week
- IUPAC SMILES+ Specification☆37Updated last year
- Physical validation of molecular simulations☆56Updated last month
- ☆23Updated 2 months ago
- Make a bunch of molecules☆96Updated 6 months ago
- A series of python scripts which aid in the processing and interpretation of mass spectrometric data (formerly Mass-Spec-Python-Tools)☆36Updated 5 years ago
- Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.☆82Updated last year
- Python Toolkit for Mass Spectrometry☆35Updated this week
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated 9 months ago
- python program for analyzing isothermal titration calorimetry data☆28Updated 6 years ago
- ☆24Updated 3 weeks ago
- ☆32Updated 5 months ago
- ☆28Updated last year
- SPIKE a collaborative development for a FT-spectroscopy processing program.☆18Updated 9 months ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- Integrate your chemometric tools with the scikit-learn API 🧪 🤖☆56Updated last week
- Source code for HOLE program.☆35Updated 9 months ago
- ☆120Updated 8 years ago
- Python API for NIST Chemistry WebBook☆39Updated 3 weeks ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆25Updated 2 weeks ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated last month
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆58Updated 3 weeks ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆75Updated this week
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆20Updated 2 weeks ago
- An open-source, online textbook introducing Python programming to chemistry students☆26Updated 4 years ago