Interface do sistema ThermInfo
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Updated
Feb 28, 2014 - PHP
Interface do sistema ThermInfo
Some scripts (mainly Python 3) which I made during my studies of Bioinformatics at University of Chemistry and Technology in Prague (http://www.vscht.cz/?jazyk=en)
Spectrophore technology with part of it in C++/Boost
Two datasets for Ligand-Based Virtual Screening benchmarking without decoys
第6回ケモインフォマティクス入門講座配布資料
A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
MNXref: Reconciliation of metabolites and biochemical reactions for metabolic networks
The comparison between two structures is based on mulliken atomic charges.
A Bio2BEL package for converting BMKS-react to BEL
⚒️ Macromolecular Miner - A framework for template-free detection of substructure conservation in biological structure data.
docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL
🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data.
"Auto-sklearn for chemistry" - train and run machine-learned classifiers for molecular classification tasks.
organic chemistry reaction prediction using NMT with Attention
Small initiation in Python to learn how to work with fingerprints files.
Drugbank Classification
docker-compose + Django + RDKit database cartridge + PostgreSQL
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