Fast NumPy array functions written in C
- c
- python
- numpy
- fast
Repository Index
47,133 repositories indexed
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Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
Fast Clojure Matrix Library
Scientific workflow engine designed for simplicity & scalability. Trivially transition between one off use cases to massive scale production environments
a lean linear math library, aimed at graphics programming. Supports vec3, vec4, mat4x4 and quaternions
ADAM is a genomics analysis platform with specialized file formats built using Apache Avro, Apache Spark, and Apache Parquet. Apache 2 licensed.
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
A coupling library and ecosystem for partitioned multi-physics and multi-scale simulations, including surface and volume coupling.
- multi-physics
- fluid-structure-interaction
- high-performance-computing
- conjugate-heat-transfer
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
linalg.h is a single header, public domain, short vector math library for C++
:four_leaf_clover: Evolutionary optimization library for Go (genetic algorithm, partical swarm optimization, differential evolution)
A header-only C++ library for large scale eigenvalue problems
- eigenvalues
- arpack
- linear-algebra
- spectra
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
Polygonal Surface Reconstruction from Point Clouds (C++ & Python)
- surface-reconstruction
- urban-modeling
- urban-reconstruction
- primitive-extraction
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
- csharp
- algebra
- integration
- latex
Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki
- qhull
- computational-geometry
- convex-hull
- delaunay-triangulation
Arbitrary-precision arithmetic in pure Swift
3D medical imaging reconstruction software
- dicom
- dicom-viewer
- magnetic-resonance-imaging
- medical-image-processing
LibTomMath is a free open source portable number theoretic multiple-precision integer library written entirely in C.
- mpi
- libtommath
- c
- math
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
DNABERT: pre-trained Bidirectional Encoder Representations from Transformers model for DNA-language in genome
- kmer
- dnabert-model
- kmer-format
- gpu