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ESP32 WiFi BLE Bluedroid EspNow Coexistence
Code and drawings for a quick and basic ESP32 TMC2130 controller
SensESP setup for monitoring 3 boat batteries
Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...
PyChem-Pro: a molecular viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, and many more...
🌀 AI-assisted workflows for digital transformation — turning design thinking into creative innovation
💊 Cutting-edge automation of computational drug discovery pipelines
📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact
🏵️ A collection of automated pipelines for building, simulation, and analysis of complex biomembrane systems
Modernized Flexible Artificial Intelligence Docking (FlexAID) fully flexible, in C++26 with python bindings. Updated NRGsuite, the PyMOL plugin GUI. Fast, Flexible and Free... and it ain't GROMACS 😹😻✨
Code to reproduce results from https://www.arxiv.org/abs/2511.05728
Curling computer vision project for extracting stone positions from broadcast footage
PyRosetta4 v2026-02-06 with (Global Interpreter Lock) disabled
ravishar313 / PyMolAI
Forked from schrodinger/pymol-open-sourcePyMolAI provides Agentic interface to PyMol workflows, built on top of Open Source version of PyMol.
A simple app to generate a predictive ML model from any ChEMBL target via UniprotID
Data sets employed in the work titled: Synthon-Based Strategies Exploiting Molecular Similarity and Protein-Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z
👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware
Bunch of scripts to generate automatically protein-ligand pair inputs for different structure prediction programs.
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets