Wrapper for RDKit's RunReactants to improve stereochemistry handling
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ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Interoperable web-based DICOM slide microscopy viewer and annotation tool
A Geometry library for Elixir that calculates spatial relationships between two geometries
- spatial-analysis
- geospatial
- gis
- geometry
🏃 The go-to single-cell Foundation Model
- batch-correction
- cell-biology
- celltype-annotation
- denoising
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
Astrophotography capture and processing
Inner ear models for Python
- python
- cochlea
- inner-ear
- model
Learning cell communication from spatial graphs of cells
- tensorflow
- gnn
- glm
- cvae
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
- ai4science
- llm
- multiagent-systems
- prompt-engineering
NeuroAnatomy Toolbox: An R package for the (3D) visualisation and analysis of biological image data, especially tracings of single neurons.
- r
- neuroanatomy-toolbox
- cran
- neuron
Machine learning for Analysis of Proteomics in Spatial biology - Nature Communications
- cell-annotation
- multiplexed-imaging
- mpif
Classification and Gradient-based Localization of Chest Radiographs using PyTorch.
- fine-tuning
- vgg16
- resnet18
- densenet121
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
A metaheuristic optimization framework
- optimization
- optimization-algorithms
- optimization-methods
- genetic-algorithm
A pure Crystal Vector Math library
- crystal
- vector
- quaternion
The repository host gives no description.
Coq formalization of algorithms due to Tarjan and Kosaraju for finding strongly connected graph components using Mathematical Components and SSReflect [maintainers=@CohenCyril,@palmskog]
- coq
- mathcomp
- ssreflect
- tarjan-algorithm
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- benchmark
- bioinformatics
- cheminformatics
- computational-chemistry
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).
- deep-reinforcement-learning
- generative-model
- vae
- molecule-generation
Winner of the Golem Gitcoin Hackathon 2020 (https://blog.golemproject.net/meet-the-winners-golem-gitcoin-hackathon-2020/). This app lets people design, simulate, and analyse antenna arrays without the need to utilize commercial and expensive applications.
- golem
This is a debugger for use with cannon-es and BabylonJS
Segment-segment intersection classifier and calculator for Elixir
GNN-based gene-selection deep learning model for drug response prediction