Lists (7)
Molecular ML
tools for ML and DL applications in Biology and Chemistry
⚡Free Energy
Useful tools for free energy calculations🔮 Future ideas
⚛️ MD
MD Tools and software❓Misc
miscellaneous stuff🖥️ QML
Anything related to Quantum Machine Learning🛠️ Work
for repos that might be useful/interesting at zontalStars
Learn how to design large-scale systems. Prep for the system design interview. Includes Anki flashcards.
The Ulimate Nextjs Starter Kit. Build your next SAAS product of your dreams. Batteries included.
A modern SaaS template/boilerplate built with SvelteKit, Tailwind, and Supabase. Includes marketing page, blog, subscriptions, auth, user dashboard, user settings, pricing page, and more.
A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai
A comprehensive toolkit for predicting free energies
Generate and auto-execute Python scripts in the cli
Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
Learn how to design systems at scale and prepare for system design interviews
Large-scale Self-supervised Pre-training Across Tasks, Languages, and Modalities
The dash-extensions package is a collection of utility functions, syntax extensions, and Dash components that aim to improve the Dash development experience
📚 Freely available programming books
Graphium: Scaling molecular GNNs to infinity.
A multi-backend implementation of the Keras API, with support for TensorFlow, JAX, and PyTorch.
Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.
Force fields produced by the Open Force Field Initiative
MDAnalysis is a Python library to analyze molecular dynamics simulations.
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at https://open-forcefield-toolkit.readthedocs.io
molfeat - the hub for all your molecular featurizers
OpenMM plugin to define forces with neural networks
OpenMM is a toolkit for molecular simulation using high performance GPU code.
An interoperable Python framework for biomolecular simulation.