Real-time WS2812b LED strip music visualization using Python and the ESP8266 or Raspberry Pi.

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

Python Toolkit for Mass Spectrometry

Wrapper to chat with a local llm, sending custom content: Webpages, PDFs, Youtube video transcripts.

Extract the melody from an audio file and export to MIDI and back to wav

python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/S2352711016300395. To cite the Software Update Publication: …

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Data files for the molecular modelling course

TPepPro: a deep learning model for predicting peptide-protein interactions

A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2

User friendly and accurate binder design pipeline

i-PI: a universal force engine

Deep Learning package for Python

This is the code for "Reinforcement Learning for Stock Prediction" By Siraj Raval on Youtube

chembldb for python

Simple protein-ligand complex simulation with OpenMM

Text classification using Doc2Vec

Tensorflow implementation of PaccMann (drug sensitivity prediction)

Forked copy of git mirror of the Biopython CVS repository

A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database

a (linux compatible) TouchOSC Midi Bridge written in python

Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.

A curated list of awesome Python frameworks, libraries and software.

Alchemical mutation scoring map

Auxiliary tools for automated atomistic and coarse-grained molecular dynamics simulations using gromacs

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315

This is a step-by-step guide on installing RoseTTAFold on an HPC without having Sudo Permissions and without having to use Docker. Requirements: Cuda 11.8, miniconda3, pip or conda

Calculation of interatomic interactions in molecular structures