Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
Repository Index
47,133 repositories indexed
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The universe in numbers. Free, open-source calculators for everything countable.
Descriptor computation(chemistry) and (optional) storage for machine learning
Bayesian Optimization using GPflow
- gpflow
- bayesian-optimization
- machine-learning
- hyperparameter-optimization
Kaapana is an open source toolkit for state of the art platform provisioning in the field of medical data analysis. The applications comprise AI-based workflows and federated learning scenarios with a focus on radiological and radiotherapeutic imaging. The name Kaapana comes from the Hawaiian word kaʻāpana, meaning "distributor" or "part".
- imaging
- ai
- cloud-computing
- medical-imaging
Pan-Cancer Integrative Histology-Genomic Analysis via Multimodal Deep Learning - Cancer Cell
- histology
- wsi-images
- pan-cancer-analysis
- genomics
Automated 3D cell detection in very large images
- microscopy
- cell-detection
- deep-learning
- image-analysis
PyTorch Connectomics: segmentation toolbox for EM connectomics
- computer-vision
- neuroscience
- connectomics
- pytorch
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
AI-based pathology predicts origins for cancers of unknown primary - Nature
- histology
- pathology
- wsi-images
- histopathology
The implementation code for "DAGAN: Deep De-Aliasing Generative Adversarial Networks for Fast Compressed Sensing MRI Reconstruction"
- generative-adversarial-network
- mri-reconstruction
- computer-vision
- deep-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
🏃 The go-to single-cell Foundation Model
- batch-correction
- cell-biology
- celltype-annotation
- denoising
Scientific computing in pure Crystal
- crystal
- linear-algebra
- machine-learning
- autograd
Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.
- disentanglement
- drug-discovery
- genomics
- perturbation
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
Safe Bayesian Optimization
- gaussian-processes
- optimization
- robotics
- reinforcement-learning
⚡ Open-source software for deep learning-based digital pathology
- deep-learning
- machine-learning
- digital-pathology
- computational-pathology