A molecular database system built on Parquet for storing molecules with multiple conformers and properties

A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragments.

Extention for notion in gemini_cli

gemini-notion-extension

Recommend new arxiv papers of your interest daily according to your Zotero libarary.

An open source utility that provides fast incremental file transfer. It also has useful features for backup and restore operations among many other use cases.

SpotX patcher used for patching the desktop version of Spotify

Spotify to YT-Music Playlist Sync Tool

An open-source AI agent that brings the power of Gemini directly into your terminal.

Enhances Windows 11 virtual desktops with additional keyboard shortcuts and mouse wheel desktop switch.

nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset

A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

Notion inline equation helper

Workflow to clean up and fix structural problems in protein-ligand binding datasets

An open-source script for downloading movies, TV shows, and anime from various websites.

💻 Notes for using Linux on Lenovo Legion.

Driver and tools for controlling Lenovo Legion laptops in Linux including fan control and power mode.

Fréchet ChemNet Distance: A quality measure for generative models for molecules

Package for Retrosynthetic Planning

Extracting medicinal chemistry intuition via preference machine learning

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

Soho vibes for GNOME Terminal

This repository provides a guide to customizing the Linux terminal with a modern and visually appealing style. It includes instructions for installing necessary tools such as zsh, oh-my-zsh, pl10k,…

Enhanced Citation Counts Manager for Zotero 7

CVPR and NeurIPS poster examples and templates. May we have in-person poster session soon!

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361