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Aina Adekunle's Projects

applied-ml icon applied-ml

📚 Papers & tech blogs by companies sharing their work on data science & machine learning in production.

bash icon bash

Run bash commands from python

betahelixdesign icon betahelixdesign

Program for remodeling and design of tau beta-helix protein scaffold

blog icon blog

Repository for my blog on Data Insight @ datainsightonline.com

colabfold icon colabfold

Making Protein folding accessible to all via Google Colab!

genie2 icon genie2

Protein structure diffusion model for unconditional protein generation and motif scaffolding

gmx_makecyclictop icon gmx_makecyclictop

This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology file

igfold icon igfold

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

mbar_pmf icon mbar_pmf

A script that uses pyMBAR to calculate potential of mean force for a set of umbrella sampling data

ml-road icon ml-road

Machine Learning Resources, Practice and Research

ml-surveys icon ml-surveys

📋 Survey papers summarizing advances in deep learning, NLP, CV, graphs, reinforcement learning, recommendations, graphs, etc.

openawsem icon openawsem

An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM

openfold icon openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

openmm-md icon openmm-md

Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations

protein-indelmaker icon protein-indelmaker

PyRosetta based package to make PDB files for specified mutations, insertions and deletions

prothon icon prothon

A Python package for efficient comparison of protein ensembles

py4e icon py4e

Web site for www.py4e.com and source to the Python 3.0 textbook

pymbar icon pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

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