A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit

Official repository for the Boltz-1 biomolecular interaction model

Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides

bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.

A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

List of papers about Peptide research using Deep Learning

A Euclidean diffusion model for structure-based drug design.

Develop with AI-powered code suggestions using GitHub Copilot and VS Code

Official repository of the xLSTM.

Uncertainty Toolbox: a Python toolbox for predictive uncertainty quantification, calibration, metrics, and visualization

A Python client for the Neo4j Graph Data Science (GDS) library

Python Package for the downstream analysis of mass-spectrometry-based proteomics data

A collection of research papers, datasets and software related to knowledge graphs suitable for drug discovery.

Molecular Manipulation Made Easy.

TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)

The uncompromising Python code formatter

A library for uncertainty quantification based on PyTorch

A curated list of awesome Conformal Prediction videos, tutorials, books, papers, articles and open-source libraries.

A curated list of awesome deep learning applications in the field of computational biology

Solutions to all quiz and all the programming assignments!!!