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.
PyWavelets - Wavelet Transforms in Python
Biological foundation modeling from molecular to genome scale
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
- chemistry
- chemical-data
- cheminformatics
- c-plus-plus
Scientific workflow engine designed for simplicity & scalability. Trivially transition between one off use cases to massive scale production environments
Digital Signal Processing for Go
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
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
Large collection of number systems providing custom arithmetic for mixed-precision algorithm development and optimization for AI, Machine Learning, Computer Vision, Signal Processing, CAE, EDA, control, optimization, estimation, and approximation.
- arithmetic
- integer-arithmetic
- fixed-point-arithmetic
- rational-arithmetic
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
Official repository for the ProteinGym benchmarks
Simulation for spacecraft attitude control system analysis and design
PyKEP is a scientific library providing basic tools for research in interplanetary trajectory design.
- interplanetary
- mission-analysis
- astrodynamics
- aerospace
The fast Continuous Wavelet Transform (fCWT) is a library for fast calculation of CWT.
A library designed to ease geographic coordinate format conversions, and determine sun/moon information in C#
- moon
- coordinates
- longitude
- latitude
Deep Reinforcement Learning for de-novo Drug Design
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
The TiGL Geometry Library to process aircraft geometries in pre-design.
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
- python
- urban-design
- urban-analytics
- ubem
Numpy-like library in swift. (Multi-dimensional Array, ndarray, matrix and vector library)
- swift
- math
- ndimensional-arrays
- ndarray
A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design
- protein
- protein-sequences
- protein-design
- representation-learning