Lists (6)
awesome-3d/2d-viewers
awesome list of 2d and 3d protein structures viewer tools, scriptsAwesome-Protein-Design
A curated collection of state-of-the-art resources for computational protein design, including Generative AI, Deep Learning, and physics-based tools.awesome-TCR
A curated collection of state-of-the-art T-cell receptor (TCR) tools and models published exclusively in Nature, Science, Cell and PreprintsLinux-stuff
list of some linux toolsOPENMM/ML-Forcefields
ML-Frocefieldssmall-molecule-generative-AI
collection of generative models for small molecules, covering Diffusion Models, Geometric Deep Learning, and Flow-based methods for de novo small mol designStars
Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...
Propose CDR single-point mutations that rescue antibody expression without disrupting antigen binding, using bound vs. unbound ProteinMPNN logit analysis.
Skills for Real Engineers. Straight from my .claude directory.
A skill file for removing AI tells from prose
A high-performance toolkit for atomistic simulations in JAX.
Thirteen editorial diagram types for Claude Code. Self-contained HTML + SVG. No shadows, no Mermaid-slop.
NV Broadcast — Unofficial NVIDIA Broadcast for Linux and other OS. AI-powered virtual camera with background removal, blur, replacement, video enhancement, and noise cancellation. GPU accelerated. …
[ICLR'26] Towards All-Atom Foundation Models for Biomolecular Binding Affinity Prediction
Latents-based conformational control in OpenFold3.
[Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design with Reinforcement Learning"
Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models
🤱🏻 Turn any webpage into a desktop app with one command.
Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics
Show probe contact dots within PyMol
Feynman-Kac steering for controllable protein diffusion
Code for the DISCO model: General Multimodal Protein Design Enables DNA-Encoding of Chemistry
openmm-mdflow is a standalone OpenMM YAML workflow runner for MD-only simulations. It builds protein/ligand/cofactor systems, supports espaloma/openff/gaff ligands, runs minimization + NVT/NPT step…