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Rufus Willy's Projects

a3fe icon a3fe

Automated Adaptive Absolute alchemical Free Energy calculator

allennlp icon allennlp

An open-source NLP research library, built on PyTorch.

alphaflow icon alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

alphafold_pytorch icon alphafold_pytorch

An implementation of the DeepMind's AlphaFold based on PyTorch for research

ankh icon ankh

Ankh: Optimized Protein Language Model

apptainer icon apptainer

Apptainer: Application containers for Linux

atlas icon atlas

ATLAS - Three commands to start analyzing your metagenome data

bert-loves-chemistry icon bert-loves-chemistry

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

beta-lac-protein-design icon beta-lac-protein-design

Analysis scripts and data for the manuscript "Simultaneous Enhancement of Multiple Functional Properties Using Evolution-informed Protein Design"

biopandas icon biopandas

Working with molecular structures in pandas DataFrames

bmdca icon bmdca

Fork of matteofigliuzzi/bmDCA repository for Boltzmann-machine Direct Coupling Analysis (bmDCA).

chroma icon chroma

A generative model for programmable protein design

clean icon clean

CLEAN: a contrastive learning model for high-quality functional prediction of proteins

codonbert icon codonbert

Repository for mRNA Paper and CodonBERT publication.

coves icon coves

Protein scoring and sampling of 'Combinatorial Variant Effects from Structure' (CoVES)

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