Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
- chemistry
- chemical-data
- cheminformatics
- c-plus-plus
Repository Index
47,133 repositories indexed
121–144 of 686 · Most stars
A research toolkit for particle swarm optimization in Python
- particle-swarm-optimization
- optimization-tools
- pso
- global-optimization
Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.
- kratos
- fem
- dem
- parallel-computing
GeneticSharp is a fast, extensible, multi-platform and multithreading C# Genetic Algorithm library that simplifies the development of applications using Genetic Algorithms (GAs).
- genetic-algorithms
- artificial-intelligence
- c-sharp
- dotnet
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
ANSI C library for NURBS, B-Splines, and Bézier curves with interfaces for C++, C#, D, Go, Java, Javascript, Lua, Octave, PHP, Python, R, and Ruby.
- nurbs
- b-splines
- bezier-curves
- splines
Gazebo database of SDF models. This is a predecessor to https://app.gazebosim.org
- gazebo
- simulation
- robot-simulation
- robotics
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
Real-time multi-physics simulation with an emphasis on medical simulation.
- real-time
- simulation
- medical
- physics
Notebooks for financial economics. Keywords: Jupyter notebook pandas Federal Reserve FRED Ferbus GDP CPI PCE inflation unemployment wage income debt Case-Shiller housing asset portfolio equities SPX bonds TIPS rates currency FX euro EUR USD JPY yen XAU gold Brent WTI oil Holt-Winters time-series forecasting statistics econometrics
- jupyter-notebook
- pandas
- federal-reserve
- gdp
Python+Numpy+OpenGL: fast, scalable and beautiful scientific visualization
Brian is a free, open source simulator for spiking neural networks.
- python
- neuroscience
- science
- differential-equations
📈 Multidimensional arrays for JavaScript
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
Fellow Oak DICOM for .NET, .NET Core, Universal Windows, Android, iOS, Mono and Unity
- dicom
- netcore
- medical
- medical-imaging
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
WeeWX code repository
- weather
- python
- weewx
- raspberry-pi
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
Fast NumPy array functions written in C
- c
- python
- numpy
- fast
Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
Development tool for CAN bus simulation
- automotive
- can
- can-bus
- genivi
Immutable in-memory R-tree and R*-tree implementations in Java with reactive api