samoturk

Samo Turk's repositories

mol2vec

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

Language:PythonBSD-3-Clause246 11 14

mol2vec_notebooks

Mol2vec notebooks for use with Binder service

Language:Jupyter NotebookBSD-3-Clause28 3 3

openmolDB

Django based chemical database/inventory

Language:JavaScriptBSD-3-Clause1900

cheminf-notebooks

Different useful and less useful cheminformatics related notebooks

Language:Jupyter Notebook7 30

websdf

Django and RDKit based interactive web-based SDF viewer

Language:HTMLBSD-3-Clause4 20

awesome-python

A curated list of awesome Python frameworks, libraries and software.

Language:Python2 20

rdkit-tutorials

Tutorials to learn how to work with the RDKit

Language:Jupyter NotebookNOASSERTION200

conda-chem-bioinfo-pkgs

Conda recipes for chem/bioinformatics packages

Language:ShellMIT1 20

HUB-ipython

HUB (Heidelberg Unseminars in Bioinformatics) about IPython and chemoinformatics

Language:Jupyter NotebookMIT1 30

HUB-machine-learning

HUB (Heidelberg Unseminars in Bioinformatics) about machine learning

Language:Jupyter NotebookBSD-3-Clause1 2 1

micropython-scripts

Micropython scripts from hobby projects

Language:PythonMIT1 20

gridvar

GridVar is a jQuery plugin that visualizes multi-dimensional datasets as layers organized in a row-column format.

Language:JavaScriptNOASSERTION000

Lilly-Medchem-Rules

Implementation of Lilly Medchem Rules - J Med Chem 2012

Language:C++GPL-3.0000

rdkit

The official sources for the RDKit library

Language:C++NOASSERTION000

rpi-scripts

Different scripts for Raspberry Pi

Language:PythonMIT000

sklearn_pycon2015

Materials for my Pycon 2015 scikit-learn tutorial.

Language:PythonBSD-3-Clause000

UGM_2014

Materials from the 2014 RDKit UGM

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