madgpap / notebooks
A collection of IPython Notebooks on chemoinformatics
☆12Updated 8 years ago
Alternatives and similar repositories for notebooks:
Users that are interested in notebooks are comparing it to the libraries listed below
- Computational Analysis of Novel Drug Opportunities☆35Updated last week
- KDS software for Kinase Drug Selectivity☆11Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆30Updated 7 months ago
- ☆12Updated 5 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆21Updated last week
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 3 years ago
- Generate Dose-Response Curves in Python☆9Updated last month
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- ☆28Updated 9 months ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 10 years ago
- Modeling framework for eTRANSAFE project☆12Updated 10 months ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- RetroPath2.0 to pathways☆16Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 3 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆14Updated 2 years ago
- a collection of colabs useful for molecular biology☆31Updated 11 months ago
- docking visualization with py3dmol and streamlit☆23Updated 3 years ago
- Peptide Virtual Screening Pipeline☆9Updated 5 years ago
- ☆14Updated 2 years ago
- ☆10Updated 5 years ago
- Galaxy Tools for Computational Chemistry☆14Updated 2 months ago
- comparing drug classification methods☆19Updated 5 years ago
- Personal Notes☆23Updated this week
- A collection of molecular modelling tools for UCSF Chimera☆17Updated 5 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆35Updated last month
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆25Updated 2 weeks ago
- ☆13Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆30Updated 2 months ago
- ☆12Updated 5 years ago