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auto-lambda

The Implementation of "Auto-Lambda: Disentangling Dynamic Task Relationships" [TMLR 2022].

bio_embeddings

Get protein embeddings from protein sequences

brenda-parser

Classes to parse the BRENDA database.

brendapy

BRENDA parser in python

codellama

Inference code for CodeLlama models

crewai_test

Framework for orchestrating role-playing, autonomous AI agents. By fostering collaborative intelligence, CrewAI empowers agents to work together seamlessly, tackling complex tasks.

deepconv-dti

DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences

deepfri

Deep functional residue identification

dgpredictor

enzrank

enzyme-promiscuity-prediction

enzymepromiscuityclassification

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

introtodeeplearning

Lab Materials for MIT 6.S191: Introduction to Deep Learning

kcat-km

Predictive models for estimating kcat and km of enzymes from sequence/structure information

localcolabfold

ColabFold on your local PC

modelseeddatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach

moleculartransformer

novostoic2.0

novoStoic2.0: Integrated Pathway Design Tool with Thermodynamic Considerations and Enzyme Selection

optstoic-python

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

rxn4chemistry

Python wrapper for the IBM RXN for Chemistry API

steadystate-mfa

Genome scale steady state 13C metabolic flux analysis