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My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock, MD with Charmm GUI and QSAR etc, never expect the format is…
🔥Highlighting the top ML papers every week.
User-friendly extensions of the DrugBank database
Container-based installation of pymol, with interaction through the browser via Jupyter notebook
Don't worry about DrugBank licensing - write code that knows how to download it automatically
An interoperable Python framework for biomolecular simulation.
Dockerfile to generate debian image with python2 and python3 pre-installed
ChatPDF-GPT is an innovative chat interface application powered by LangChain and OpenAI, allowing users to upload and chat with PDF documents, stored in Pinecone vector database and Supabase storage.
Python package and command line tool for epitope prediction
Streamlit Component for rendering Folium maps
Write reproducible code for getting and processing ChEMBL
Open-source bioinformatics components for Dash
A web app solving Poisson's equation in electrostatics using finite difference methods for discretization, followed by gauss-seidel methods for solving the equations. Dirichlet conditions and charg…
An interactive for visualizing complex functions based on a 3Blue1Brown video and also estimation of Riemann Zeta Function using Euler Maclaurin Summation.
Interesting resources related to XAI (Explainable Artificial Intelligence)
JSME Molecule Editor ipywidget for jupyter notebook
OFFICIAL: AnteChamber PYthon Parser interfacE
Find the best vim colorschemes around