lightweight, dependency-free bash script for security, performance auditing and infrastructure monitoring of Linux servers.

SO3krates and Universal Pairwise Force Field for Molecular Simulation

🔥 Real-time NVIDIA GPU dashboard

Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2

List of papers about Proteins Design using Deep Learning

Adaptive landscape flattening scripts for MSLD

Interaction Fingerprints for protein-ligand complexes and more

ML from scratch

torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

Code for paper "Rethinking Text-based Protein Understanding: Retrieval or LLM?"

A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation

TS2CG version 2

MacOS menu‑bar utility to adjust Apple Silicon GPU VRAM allocation

Create chatbots with ease

just fun font pairing.

Let LLM run your MDs.

Scripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

binding free energy estimator 2

Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3

Self-hosted game stream host for Moonlight.

Molecular dynamics simulations with an LLM agent

Automatic Speech Recognition with Speaker Diarization based on OpenAI Whisper

High-Resolution 3D Assets Generation with Large Scale Hunyuan3D Diffusion Models.

Visualize structure data from Biotite with PyMOL

A trainable PyTorch reproduction of AlphaFold 3.