The chemotaxonomic map of labdane diterpenoids in Acanthaceae

Code to reproduce "Enveda-180: generation of a large open multimodal MS/MS and ion mobility spectral library for drug-like small molecules"

Your own personal AI assistant. Any OS. Any Platform. The lobster way. 🦞

Scanpy-inspired Python Pipeline for Bulk RNAseq Analysis

This suite includes five Bash scripts to automate key steps in a virtual screening pipeline. It simplifies compound library prep, receptor setup, docking, job resumption, and result analysis using …

Trends in Computational Metabolomics (2021–2025)

HSQC Molecular Networking Code for Publication

The Open-Source Multimodal AI Agent Stack: Connecting Cutting-Edge AI Models and Agent Infra

Reference-free reconstruction and error correction of transcriptomes from Nanopore long-read sequencing

Predicting tandem mass spectra from molecules

Build Anything with AI Agents

A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of matching structures.

All the convenience of lme4 in python

supervenn: precise and easy-to-read multiple sets visualization in Python

Curated list of awesome Cursor Rules .mdc files

MaSIF-neosurf: surface-based protein design for ternary complexes.

SPARC CCF Multi-omics analysis

Visualisations of data are at the core of every publication of scientific research results. They have to be as clear as possible to facilitate the communication of research. As data can have differ…

Annotated data.

📚 Parameterize, execute, and analyze notebooks

Advanced Python Mastery (course by @dabeaz)

Build local voice agents with open-source models

Using LLMs and rules for a local personal agent

MassKG is a knowledge-based computational tool for annotating mass spectra of natural products and discovering novel structures from crude extracts

The nPYc-Toolbox defines objects for representing, and implements functions to manipulate and display, metabolic profiling datasets.

Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"

Evaluating the generalizability of graph neural networks for predicting collision cross section