Universal cheminformatics toolkit, utilities and database search tools
- indigo
- bingo
- cheminformatics
- chemistry
Repository Index
47,133 repositories indexed
265–288 of 633 · Most stars
Reference mapping for single-cell genomics
- single-cell
- deep-learning
- rna-seq-analysis
- data-integration
V library to develop Artificial Intelligence and High-Performance Scientific Computations
- v
- hacktoberfest
- linear-algebra
- optimization
The fast Continuous Wavelet Transform (fCWT) is a library for fast calculation of CWT.
- cwt
- matlab
- cpp
- optimization
Python library for multilinear algebra and tensor factorizations
The repository host gives no description.
- mesh-generator
JavaScript helper functions for manipulating GeoJSON
Quantum Computer Library for Everyone
- quantum
- python
- quantum-computing
- quantum-algorithms
A library designed to ease geographic coordinate format conversions, and determine sun/moon information in C#
- moon
- coordinates
- longitude
- latitude
Encapsulate measurements and their units in Ruby and Ruby on Rails.
Pathology Language and Image Pre-Training (PLIP) is the first vision and language foundation model for Pathology AI (Nature Medicine). PLIP is a large-scale pre-trained model that can be used to extract visual and language features from pathology images and text description. The model is a fine-tuned version of the original CLIP model.
- artificial-intelligence
- clip
- pathology
- vision-and-language
An extension for Inkscape that makes it easier to draw optical diagrams.
- inkscape-extension
- optics-simulation
- python
- optics
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
Library for multiscale visualization of high-resolution multiplexed bioimaging data on the web. Directly renders Zarr and OME-TIFF.
- hubmap
- imaging
- openmicroscopy
- ome-tiff
Math.NET Symbolics
- computer-algebra
- mathnet
- dotnet
- fsharp
A fully featured, pythonic library for representing and using quaternions
Cirno's Perfect Math Library: Just about everything you need for 2D/3D games. Hopefully.
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
- ai-for-science
- diffusion-models
- drug-design
- equivariant-networks
UCE is a zero-shot foundation model for single-cell gene expression data
pyMOR - Model Order Reduction with Python
- python
- model-reduction
- model-order-reduction
- control-systems
A performance oriented 2D/3D math package for Go
Collection of self-contained header-only libraries for C++17
Image restoration for fluorescence microscopy
One open-source modeler for structures, heat and fluids, built from scratch in pure Rust: parametric part in, verified results out. Automatic all-hex and tet meshing, our own nonlinear implicit and explicit FEA, heat transfer and lattice Boltzmann CFD — every result checked against theory. For engineers and AI agents alike. Free, forever.
- cae
- cfd
- computational-mechanics
- explicit-dynamics