mcsorkun Goto Github PK
Name: Murat Cihan Sorkun
Type: User
Company: Post-Doc Researcher at DIFFER
Bio: algorithms, data science, cheminformatics
Location: Eindhoven
Murat Cihan Sorkun's Projects
aqsoldb
AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.
aqsolpred-web
Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
chemical-space-visualization
A simple code for the visualization of material chemical space.
chemplot
A python package for chemical space visualization.
chemplot-web
chemprice-web
conformer-search
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
genetic-selection-cheminformatics
Genetic algorithm implementation for the selection of features generated from SMILES (cheminformatics applications)
huffman-coding
A simple implementation of Huffman Coding for text compression
material-2-one-hot-vector
Converts list of materials from molecular formula to one hot vectors
redpred
Redox Energy Prediction
redpred-web
RedPred: Redox Energy Prediction Tool for Redox Flow Battery Molecules
secretary-problem
Simulation Codes for Standard Secretary Problem
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
test
test
test-streamlit
v2db
V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.
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