13th RDKit UGM. 11-13 September in Zurich, Switzerland

📄 Awesome CV is LaTeX template for your outstanding job application

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

Focus on prompting and generating

Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling

Display and control your Android device

A collaborative book on algorithms

Create code snippets, browse AI prompts, create extension icons and more.

Gaining advanced insights from Git repository history.

Python 3 framework to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.

Simple RDKit molecule editor GUI using PySide

A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

Converts an xyz file to an RDKit mol object

Personal website of Shilaan Alzahawi

pyPept: a python library to generate atomistic 2D and 3D representations of peptides

Simple, lightweight package for genetic algorithms on molecules

Antibiotic Resistant Target Seeker (ARTS)

A macOS menu bar app that enables system-wide navigation functionality for the side buttons on third-party mice.

This repo brings numerous use cases from the Open Source Ollama

💎 🐳 A super customizable Jekyll theme for personal site, team site, blog, project, documentation, etc.

A working example of RAG using LLama 2 70b and Llama Index

A Langchain app that allows you to chat with multiple PDFs

A conversational chatbot built in Python using Streamlit and the OpenAI LLM model GPT 3.5.

Minimalistic UI for Ollama LMs - This powerful react interface for LLMs drastically improves the chatbot experience and works offline.

User-friendly AI Interface (Supports Ollama, OpenAI API, ...)

Chatbot Ollama is an open source chat UI for Ollama.

Get up and running with Llama 3.2, Mistral, Gemma 2, and other large language models.