chrisp33 / Python-For-RnD
Python Notebooks for Python For R&D Video Series
☆11Updated 4 months ago
Alternatives and similar repositories for Python-For-RnD:
Users that are interested in Python-For-RnD are comparing it to the libraries listed below
- Google Colab Tutorials for IBM3202☆257Updated 5 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆57Updated 3 months ago
- Python for chemoinformatics☆110Updated 4 years ago
- Compilation of chemoinformatics and machine learning techniques☆57Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆266Updated last year
- ☆91Updated 3 years ago
- A Python wrapper for PaDEL-Descriptor software☆194Updated last year
- SPIKE a collaborative development for a FT-spectroscopy processing program.☆17Updated 7 months ago
- Universal Deconvolution of Mass and Ion Mobility Spectra☆69Updated 2 weeks ago
- ☆14Updated 4 years ago
- add-on to plotly which show molecule images on mouseover!☆252Updated last year
- A python interface to the SAGE search engine for mass spectrometry proteomics☆13Updated last month
- Resources, Code, and Other things I use to teach Cheminformatics.☆155Updated 4 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆114Updated last year
- RDKit related blog posts, notebooks, and data.☆134Updated 3 weeks ago
- A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations☆21Updated 2 months ago
- scikit-learn classes for molecular vectorization using RDKit☆169Updated this week
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Updated 7 years ago
- Creating machine learning algorithms from scratch☆18Updated 3 weeks ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆74Updated 6 months ago
- Example implementations of common machine learning projects in chemistry.☆168Updated 7 months ago
- Some useful RDKit functions☆161Updated 2 weeks ago
- ☆124Updated last year
- ☆11Updated last year
- Machine Learning in Drug Discovery Resources 2024☆208Updated 2 months ago
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆29Updated 3 years ago
- A Python library for structural cheminformatics☆96Updated 3 weeks ago
- Cloud-based molecular simulations for everyone☆428Updated last week
- A modular, python-based framework for mass spectrometry. Powered by nbdev.☆177Updated 11 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆328Updated 3 months ago