Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
- cheminformatics
- dft-calculations
- automation
- feature
Repository Index
47,133 repositories indexed
73–96 of 105 · Most stars
Axon/Myelin segmentation using Deep Learning
- deep-learning
- machine-learning
- myelin
- axon
A strongly-typed genetic programming framework for Python
- python
- ipynb
- genetic-programming
- framework
code to run sei and obtain sei and sequence class predictions
Graph and Network algorithms in Julia
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
- ai4science
- llm
- multiagent-systems
- prompt-engineering
Layout algorithms for graphs and trees in pure Julia.
- graph-visualization
Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux
- deep-learning
- deep-neural-networks
- gradient-descent
- automatic-differentiation
Syre workspace.
A platform independent tensor library with autograd for the JVM
- java
- library
- deep-neural-networks
NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
- computational-biology
- bioinformatics
- graph-convolution
- deep-learning
MAT is library for working with multi-dimensional arrays which supports efficient interfacing to foreign and CUDA code. BLAS and CUBLAS bindings are available.
👩💻 Matrix and other math, accelerated by WebGPU and WASM
A matrix package for common lisp building on work by Mark Hoemmen, Evan Monroig, Tamas Papp and Rif.
The framework for quantification of neuronal anatomy
- neuroscience
- neuroanatomy-toolbox
- imagej
- imagej2
Elixir library implementing a parallel matrix multiplication algorithm and other utilities for working with matrices. Used for benchmarking computationally intensive concurrent code.
Deep learning model for single-cell inference of multi-omic profiles from a single input modality.
- single-cell
- scrna-seq
- scatac-seq
- deep-neural-networks
Working with time-dependent networks in Julia
- graph
- evolving-graphs
- julia
- network
A Python toolkit for quantum neural networks.
The d-SEAMS C++ core engine
- molecular-dynamics-simulation
- molecular-dynamics
- trajectory-analysis
- lua
ChemMine Tools: open source web framework for small molecule analysis
Deciphering cell-cell communication from spatially resolved transcriptomic data at single-cell resolution with subgraph-based attentional graph neural network
A metaheuristic optimization framework
- optimization
- optimization-algorithms
- optimization-methods
- genetic-algorithm
PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarity Augmentation"