Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
Repository Index
47,133 repositories indexed
121–144 of 183 · Most stars
Safe Bayesian Optimization
- gaussian-processes
- optimization
- robotics
- reinforcement-learning
Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
Numpy-like library in swift. (Multi-dimensional Array, ndarray, matrix and vector library)
- swift
- math
- ndimensional-arrays
- ndarray
Python package for image-based profiling
- cytominer
- microscopy
- morphological-profiling
- python
A library of mechanised undecidability proofs in the Coq proof assistant.
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
SIMD enhanced Array operations
Astrophotography capture and processing
ENIGMA HALFpipe is a user-friendly software that facilitates reproducible analysis of fMRI data
- neuroimaging
- reproducibility
- pipeline
- meta-analysis
Clipping and geometric operations for spherical polygons.
- d3
- map
- polygon-clipping
- projection
A strongly-typed genetic programming framework for Python
- python
- ipynb
- genetic-programming
- framework
Coq Repository at Nijmegen [maintainers=@spitters,@VincentSe,@Lysxia]
- coq-library
- real-number
- coq
- coq-ci
:spider_web: Compute interesting points, areas, and volumes in simplex meshes of any dimension.
- mathematics
- python
- pypi
- voronoi-diagram
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
- ai4science
- llm
- multiagent-systems
- prompt-engineering
:dart: Accurate sums and dot products for Python.
- mathematics
- numerical-methods
- engineering
- accuracy
A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.
- mathematical-modelling
- automatic-differentiation
- mathematics
- math
Cumo (pronounced like "koomo") is CUDA aware numerical library whose interface is highly compatible with Ruby Numo
- ruby
- cuda
- numo
- scicentific-computing
Scientific library for the D programming language
The Mines Java Toolkit
- geophysics
- scientific-computing
- visualization
- mines-java-toolkit
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Variations on Kirby & Paris' hydra battles and other entertaining math in Coq (collaborative, documented, includes exercises) [maintainer=@Casteran]
- coq
- hydra-battles
- ordinal-notations
- formal-proofs
A set of protocols for Arithmetic, Statistics and Logical operations
Machine learning for Analysis of Proteomics in Spatial biology - Nature Communications
- cell-annotation
- multiplexed-imaging
- mpif