Files for the Python Workout book

The best ChatGPT that $100 can buy.

OpenMM is a toolkit for molecular simulation using high performance GPU code.

AlphaFold 3 inference pipeline.

PDBFixer fixes problems in PDB files

Comprehensive Python client for the Uniprot REST API

利用AI大模型，一键生成高清短视频 Generate short videos with one click using AI LLM.

Clusters protein chains based on CA distance difference

Hierarchical Reasoning Model Official Release

AutoDock Vina

BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding. It is useful because accurately characterizing these inter…

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Pipeline for assessing the tractability of potential targets (starting from Gene IDs)

An extension of the nanoGPT repository for training small MOE models.

learn post-training with Meta's torchtune

PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.

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

Source code and data for models to predict gut permanence

This repository contains math tutorials I created for Bioinformatics and Computational Biology.

Novel molecules from a reference shape!

A machine learning app to assess the aggregation potential of Small Colloidally-Aggregating Molecules (SCAMS).

Curso de programación en Python - UNSAM