spike-project / spike
SPIKE a collaborative development for a FT-spectroscopy processing program.
☆18Updated 8 months ago
Alternatives and similar repositories for spike
Users that are interested in spike are comparing it to the libraries listed below
Sorting:
- A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations☆21Updated 3 months ago
- Python Toolkit for Mass Spectrometry☆35Updated 3 weeks ago
- ☆31Updated 5 months ago
- Universal Deconvolution of Mass and Ion Mobility Spectra☆69Updated last week
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆31Updated 2 weeks ago
- ☆33Updated 2 months ago
- A small library to provide peak picking for software processing mass spectrometry data☆23Updated 5 months ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆60Updated 2 months ago
- IsoCor: Isotope Correction for mass spectrometry labeling experiments☆24Updated 2 weeks ago
- ECCpy is a program for EC50 calculation in python.☆44Updated last year
- 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
- A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format☆35Updated last month
- A python client for the ClassyFire API☆16Updated 5 years ago
- ☆68Updated 10 months ago
- TidyMS: Tools for working with MS data in untargeted metabolomics☆55Updated 10 months ago
- Mass Spectrometry Tool☆22Updated 11 months ago
- ☆25Updated last year
- ☆23Updated 4 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆77Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆70Updated 8 months ago
- PyMOL plugin to calculate accessible contact volumes on PDB structures☆9Updated last month
- Plotting mass spectra with Matplotlib☆33Updated 8 years ago
- ☆23Updated last month
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆59Updated 4 months ago
- pyQms, generalized, fast and accurate mass spectrometry data quantification☆28Updated 10 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆68Updated last month
- Deep Neural Networks for Analysing NMR time domain data☆10Updated 7 months ago
- Pyteomics is a collection of lightweight and handy tools for Python that help to handle various sorts of proteomics data. Pyteomics provi…☆128Updated this week
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆41Updated last week
- Automated analysis of LCMS data for high throughput chemistry experiments☆18Updated last month