j-brady / peakipy
Interactive NMR peak deconvolution
☆15Updated 4 months ago
Alternatives and similar repositories for peakipy:
Users that are interested in peakipy are comparing it to the libraries listed below
- Python script to lookup pKa values☆25Updated 3 months ago
- Make valid molecular graphs!☆22Updated 10 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆23Updated last week
- Python wrapper for the ChemSpider API☆113Updated 6 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆36Updated this week
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆123Updated 10 months ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated last year
- ☆19Updated 4 years ago
- Systematic pH calculation package for Python☆36Updated last year
- A Python library for NMR simulation☆23Updated last year
- Package for consistent reporting of relative free energy results☆37Updated 3 weeks ago
- 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
- Data visualizations for biomolecular dynamics☆18Updated 6 years ago
- MD trajectory server☆34Updated last year
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆10Updated 3 years ago
- ☆34Updated last month
- A program for the analysis of NMR data.☆21Updated 7 months ago
- Molecular bloom filter tool☆114Updated 10 months ago
- An open-source, online textbook introducing Python programming to chemistry students☆24Updated 4 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆18Updated 9 months ago
- ☆18Updated last year
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆44Updated 5 months ago
- Binding curve simulation and experimental data fitting for multi component protein-ligand systems☆16Updated 2 months ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Dynamics PyMOL Plugin☆42Updated 9 months ago
- ☆57Updated 2 months ago
- LOOS: a lightweight object-oriented structure analysis library☆122Updated 2 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 2 years ago
- Source code for HOLE program.☆32Updated 5 months ago
- Visualization tool for changing networks☆19Updated 6 years ago