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Starred repositories
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
A Web browser Extension for improving UX of Sakai LMS
😎 Curated list of awesome software for numerical analysis and scientific computing
Papers from the computer science community to read and discuss.
Run agents that work for you based on what you do. AI finally knows what you are doing
⭐️ A friendly language for building type-safe, scalable systems!
An open-source, code-first Python toolkit for building, evaluating, and deploying sophisticated AI agents with flexibility and control.
🔗🐍⏭️ PyO3 bindings and Python interface to FragGeneScanRs, a gene prediction model for short and error-prone reads
Interactive visualization of Active Inference dynamics
An open-source, GPU-accelerated physics simulation engine built upon NVIDIA Warp, specifically targeting roboticists and simulation researchers.
Unofficial build of L-SMASH Works
Aim 💫 — An easy-to-use & supercharged open-source experiment tracker.
CLI proxy that reduces LLM token consumption by 60-90% on common dev commands. Single Rust binary, zero dependencies
Open source comprehensive 2D content creation tool suite for graphic design, digital art, and interactive real-time motion graphics — featuring node-based procedural editing
Robyn is a Super Fast Async Python Web Framework with a Rust runtime.
Python and Rust library for loading, saving, and manipulating taxonomic trees
resnant / dmol-book-japanese
Forked from whitead/dmol-bookJapanese translation of "Deep learning for molecules and materials book"
Domain specific library for electronic structure calculations
A python script to perform QM/MM calculation.
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
Solid state detector field and charge drift simulation in Julia