POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
Repository Index
47,133 repositories indexed
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A python module for scientific analysis of 3D data based on VTK and Numpy
- 3d-graphics
- vtk
- 3d
- mesh
Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).
- python
- genetic-algorithm
- optimization
- numpy
A set of documented functions for simulating the performance of photovoltaic energy systems.
- solar-energy
- python
- renewable-energy
- renewables
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
An information security preparedness tool to do adversarial simulation.
- uber
- vagrant
- yaml
- celery
HPC Container Maker
- containers
- hpc
- docker
- singularity
A dependency-free cross-platform swiss army knife for PDB files.
- python
- protein
- pdb
- bioinformatics
Maze Applied Reinforcement Learning Framework
OpenAeroStruct is a lightweight tool that performs aerostructural optimization using OpenMDAO.
- openmdao
- optimization
- aerodynamics
- open-source
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
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
:dart: Accurate sums and dot products for Python.
- mathematics
- numerical-methods
- engineering
- accuracy
MCP server for spatial transcriptomics analysis through natural language interfaces.
- bioinformatics
- cell-communication
- deconvolution
- machine-learning
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
Accurate segmentation of bacterial microscope images using deep learning synthetically generated image data.
- microscopy
- image-processing
- segmentation
- biology
Nova DSO Tracker is an open-source Flask application for astrophotographers, providing real-time tracking of deep-sky objects' altitude, observability prediction, and integration with Stellarium and SIMBAD databases.
Local CrossRef database with 167M+ works and full-text search
- abstract
- citation
- impact-factor
- localhost
Vendor-agnostic, FHIR-Genomics-aligned API contract for cross-vendor NGS interpretation. JSON Schema + TypeScript + Python pydantic.
A browser workspace connecting research projects, apps, and collaborators