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A reactive notebook for Python — run reproducible experiments, query with SQL, execute as a script, deploy as an app, and version with git. All in a modern, AI-native editor.
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
Official repository for the Boltz-1 biomolecular interaction model
User friendly and accurate binder design pipeline
Implementation of NSGA-II algorithm in form of a python library.
An (unofficial) implementation of Focal Loss, as described in the RetinaNet paper, generalized to the multi-class case.
GNN trained to predict changes in thermodynamic stability for protein point mutants
A repo that lets you automatically extract the data of a line chart.
Implementation of Alphafold 3 from Google Deepmind in Pytorch
A machine learning-based approach for classifying metal site geometry.
Fast protein structure searching or your money back
A comprehensive guide on how to create beautiful scientific figures for technical publications, presentations, and posters
The Rosetta Bio-macromolecule modeling package.
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
PinMyMetal: Accurately model metal binding sites through a hybrid learning system
A collection of open source icons for public health projects.
Structure-conditioned masked language modeling for protein sequence design
Versatile computational pipeline for processing protein structure data for deep learning applications.
A generative model for programmable protein design
Tool for the prediction of metal binding sites in protein structures