hacked code to bicluster molecules using rdkit and scikitlearn
-
Updated
Jan 18, 2018 - Python
hacked code to bicluster molecules using rdkit and scikitlearn
A Jupyter/Colab file that introduces users to machine-readable chemistry through a closer look at snack food ingredients
Invited talks
A data collection app or website for ranking molecules.
Modern build system for embedding IUPAC formats into C and C++ projects
Scientific posters for conferences and workshops.
Process Design Utilities
built a FCN system,both input and output are 128*128figures,try to find relation between these pictures
JCAMP-DX file converter for android
XGBoost and SHAP in Python - Basic Port of Work Already Published on RPub
Data about chemical elements arranged in JSON format
CancerAI-Prediction of small molecules as potent inhibitors of various cancer targets using Artificial Intelligence (AI)
⬢⬢⬢ Organizing and processing tables of chemical structures.
Character-level RNN for tagging chemical entities in unparsed text.
Course hometasks & additional links/materials on "Programming foundations for chemistry problems solving" - ITMO University, 2017 (some materials might be in Russian)
Parse tree viewer for SMILES strings.
Web-based chemistry e-learning tool to test molecular geometry knowledge
A computational chemistry tool kit including file handling and molecular manipulation tools.
Add a description, image, and links to the cheminformatics topic page so that developers can more easily learn about it.
To associate your repository with the cheminformatics topic, visit your repo's landing page and select "manage topics."