OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
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DiffSharp: Differentiable Functional Programming
- machine-learning
- tensor
- dotnet
- autodiff
A Swift micro library for generating Sunrise and Sunset times on device, requiring no network access.
- swift
- sunrise
- sunset
- ios
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
🎯 A comprehensive gradient-free optimization framework written in Python
- metaheuristics
- optimization
- optimization-algorithms
- python
Vision-Language Pathology Foundation Model - Nature Medicine
- bioimage-analysis
- bioimage-informatics
- conch
- foundation-model
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq
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
A blazing fast matrix library for Elixir/Erlang with C implementation using CBLAS.
Tools for computational pathology
- machine-learning
- digital-pathology
- computational-pathology
- biomedical-image-processing
Descriptor computation(chemistry) and (optional) storage for machine learning
Bayesian Optimization using GPflow
- gpflow
- bayesian-optimization
- machine-learning
- hyperparameter-optimization
Cancer Imaging Phenomics Toolkit (CaPTk) is a software platform to perform image analysis and predictive modeling tasks. Documentation: https://cbica.github.io/CaPTk
- cancer-imaging-research
- radiomics
- radiomics-features
- machine-learning
A command-line utility for quick math.
A collection of useful mathematical functions in Elixir with a slant towards statistics, linear algebra and machine learning
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
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
Sparse matrix formats for linear algebra supporting scientific and machine learning applications
- go
- golang
- matrix
- scientific-computing
Scientific computing in pure Crystal
- crystal
- linear-algebra
- machine-learning
- autograd
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
⚡ Open-source software for deep learning-based digital pathology
- deep-learning
- machine-learning
- digital-pathology
- computational-pathology
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
- cheminformatics
- dft-calculations
- automation
- feature