Pinned Repositories
awesome-python
A curated list of awesome Python frameworks, libraries and software.
cheminf-notebooks
Different useful and less useful cheminformatics related notebooks
conda-chem-bioinfo-pkgs
Conda recipes for chem/bioinformatics packages
HUB-ipython
HUB (Heidelberg Unseminars in Bioinformatics) about IPython and chemoinformatics
mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
mol2vec_notebooks
Mol2vec notebooks for use with Binder service
openmolDB
Django based chemical database/inventory
rdkit-tutorials
Tutorials to learn how to work with the RDKit
websdf
Django and RDKit based interactive web-based SDF viewer
samoturk's Repositories
samoturk/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
samoturk/mol2vec_notebooks
Mol2vec notebooks for use with Binder service
samoturk/openmolDB
Django based chemical database/inventory
samoturk/cheminf-notebooks
Different useful and less useful cheminformatics related notebooks
samoturk/websdf
Django and RDKit based interactive web-based SDF viewer
samoturk/awesome-python
A curated list of awesome Python frameworks, libraries and software.
samoturk/rdkit-tutorials
Tutorials to learn how to work with the RDKit
samoturk/conda-chem-bioinfo-pkgs
Conda recipes for chem/bioinformatics packages
samoturk/HUB-ipython
HUB (Heidelberg Unseminars in Bioinformatics) about IPython and chemoinformatics
samoturk/HUB-machine-learning
HUB (Heidelberg Unseminars in Bioinformatics) about machine learning
samoturk/micropython-scripts
Micropython scripts from hobby projects
samoturk/gridvar
GridVar is a jQuery plugin that visualizes multi-dimensional datasets as layers organized in a row-column format.
samoturk/Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
samoturk/rdkit
The official sources for the RDKit library
samoturk/rpi-scripts
Different scripts for Raspberry Pi
samoturk/sklearn_pycon2015
Materials for my Pycon 2015 scikit-learn tutorial.
samoturk/UGM_2014
Materials from the 2014 RDKit UGM