madgpap / notebooksLinks
A collection of IPython Notebooks on chemoinformatics
☆13Updated 9 years ago
Alternatives and similar repositories for notebooks
Users that are interested in notebooks are comparing it to the libraries listed below
Sorting:
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- Computational Analysis of Novel Drug Opportunities☆40Updated 3 weeks ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 5 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 months ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- ☆12Updated 6 years ago
- ☆30Updated 8 months ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 4 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated 3 weeks ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆35Updated 2 years ago
- Peptide Virtual Screening Pipeline☆12Updated 6 years ago
- Modeling framework for eTRANSAFE project☆13Updated 5 months ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- PCA and normal mode analysis of proteins☆20Updated last year
- comparing drug classification methods☆22Updated 5 years ago
- ☆13Updated 4 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- ☆14Updated 3 years ago
- A unified and modular interface to homology modelling software☆11Updated 2 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 11 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 4 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare. …☆18Updated 3 years ago
- A deep learning model to predict anticancer peptides.☆24Updated 6 years ago
- ☆14Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- ☆10Updated 6 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- ☆17Updated 3 years ago