meldaw's Projects
Code related to the 2023 AC-ICAM manuscript in Nature Medicine.
Basic tutorial for running and analyzing a Gromacs MD simulation of AdK
A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS
Open source code for AlphaFold.
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
A python package for animating plots build on matplotlib.
Styling matplotlib made easy
AutoDock for GPUs and other accelerators
AutoDock Vina
A curated list of awesome Bioinformatics libraries and software.
A tool to map bisulfite converted sequence reads and determine cytosine methylation states
predicting peptide-protein interactions
cBioPortal for Cancer Genomics
ChIP-seq peak-calling, QC and differential analysis pipeline.
A generative model for programmable protein design
Making Protein folding accessible to all!
Parallel computing with task scheduling
Deep learning framework for data mining protein-protein interactions using CNN
Graph Network for protein-protein interface
DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking
Flexible Artificial Intelligence Docking
Foldseek enables fast and sensitive comparisons of large structure sets.
Tutorials for making 3D-looking maps with Blender and QGIS
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
LiveCoMS GROMACS Tutorials Paper
(outdated) fork of https://gitlab.com/gromacs/gromacs
A deep learning framework for molecular docking
Build and share delightful machine learning apps, all in Python. 🌟 Star to support our work!