Simulation platform for general-purpose robotics & embodied AI learning.
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A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
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.
- traffic
- simulation
- transport
Biological foundation modeling from molecular to genome scale
Spearmint Bayesian optimization codebase
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Molecular Processing Made Easy.
- python
- molecule
- rdkit
- drug-discovery
Generative biopolymer design with rich conditioning.
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
The Complete Street Rule for ArcGIS CityEngine is a scenario oriented design tool intended to enable users to quickly create procedurally generated multimodal streets.
- complete
- streets
- transportation
- cityengine
Safe Bayesian Optimization
- gaussian-processes
- optimization
- robotics
- reinforcement-learning
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).
- deep-reinforcement-learning
- generative-model
- vae
- molecule-generation