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Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
Biological foundation modeling from molecular to genome scale
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A flexible framework for solving PDEs with modern spectral methods.
Molecular Processing Made Easy.
Generative biopolymer design with rich conditioning.
A Euclidean diffusion model for structure-based drug design.
Code for the Nature Scientific Reports paper "Pathologist-level classification of histologic patterns on resected lung adenocarcinoma slides with deep neural networks." A sliding window framework for classification of high resolution whole-slide images, often microscopy or histopathology images.
skimpy is a light weight tool that provides summary statistics about variables in data frames within the console.
a molecular descriptor calculator
Python version of the SGP4 satellite position library
Descriptor computation(chemistry) and (optional) storage for machine learning
The Complete Street Rule for ArcGIS CityEngine is a scenario oriented design tool intended to enable users to quickly create procedurally generated multimodal streets.
A coherent Ansible roles collection to simply deploy clusters of nodes.
MCP server for spatial transcriptomics analysis through natural language interfaces.
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).