ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Repository Index
71,372 visible repositories in the index
337–360 of 527 · Most stars
An automatic code generator for nonlinear model predictive control (NMPC) and the continuation/GMRES method (C/GMRES) based numerical solvers for NMPC
- model-predictive-control
- nonlinear-model-predictive-control
- mpc
- nmpc
Go package for calculating the sunrise and sunset times for a given location
Interoperable web-based DICOM slide microscopy viewer and annotation tool
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
Open-source software for exploring and analyzing large, high-dimensional image-derived data.
- cellprofiler-analyst
- cellprofiler
- image-analysis
- machine-learning
A python Two Source Energy Balance model for estimation of evapotranspiration with remote sensing data
- source-energy-balance
- canopy
- soil
- radiometric-temperatures
Schema and data analyzer for MongoDB written in Go.
Sparse matrix formats for linear algebra supporting scientific and machine learning applications
- go
- golang
- matrix
- scientific-computing
A library of abstract interfaces for mathematical structures in Coq [maintainer=@spitters,@Lysxia]
- coq-library
- typeclasses
- mathematics
- coq
A Lean formalization of the Classification of Finite Simple Groups
Mission-control style spacecraft tracker in Rust: live ISS, Dragon, Hubble, JWST and Roman orbits, passes and schedules. Retro CRT themes, and a mode for Raspberry Pi + composite CRT.
LLM for Drug Editing, ICLR 2024
- chatgpt
- conversation
- drug
- drug-discovery
Scientific computing in pure Crystal
- crystal
- linear-algebra
- machine-learning
- autograd
A framework for high-performance domain decomposition methods.
- c-plus-plus
- linear-algebra
- python
- fortran
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
TUM Roborace Team Software Stack - Vehicle Simulation
Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
Data visualisation web components for the life sciences.
- biohackeu21
- bioinformatics
- visualization
- webcomponents
Date and time manipulation for modern Fortran
- fortran
- datetime
- timedelta
- strftime
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
SolarEstimator: pvlib-based solar estimation platform with Tkinter GUI
- activator
- application
- gui
- pvlib