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
Repository Index
47,133 repositories indexed
145–168 of 169 · Most stars
3D shape analysis using deep learning
- cancer-biology
- cell-biology
- deep-learning
- geometric-deep-learning
A metaheuristic optimization framework
- optimization
- optimization-algorithms
- optimization-methods
- genetic-algorithm
Java Scientific Computing Library - Signal Processing, FFT, Filters, PSD, DCT, SciPy-like APIs for JVM & Android used in Machine Learning and Data Science.
- android
- java
- python
- scipy
Some useful additons for makepkg for archlinux
- archlinux
- bolt
- clang
- gcc
Accurate segmentation of bacterial microscope images using deep learning synthetically generated image data.
- microscopy
- image-processing
- segmentation
- biology
Data logistics system enabling real-time pathogen surveillance. Built for the Seattle Flu Study.
- postgres
- postgresql
- python
- infectious-disease
Computer Algebra for microcontrollers using https://github.com/micropython/micropython
Workbench for practical machine learning in Ruby.
- machine-learning
- machine-learning-algorithms
- neural-network
- neural-networks
Satellite prediction library for crystal using the sgp4 model
- sgp4
- crystal
- satellite
- satellite-prediction
An effort to consolidate the needs and plans of individuals and organizations using Common Lisp to meet their numerical and scientific computing needs.
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
Quantum randomness source using the ANU hardware QRNG
- random-number-generators
- quantum-mechanics
Open source ballistics library
- vala
- ballistics
- meson
- gplv3
DetecDiv provides a comprehensive set of tools to analyze time microscopy images using deep learning methods. The software structure is such that data can be processed either at the command line or using a graphical user-interface. Detecdiv classification models include : image classification and regression, semantic segmentation, LSTM networks to analyze data and image timeseries.
This is a debugger for use with cannon-es and BabylonJS
Caustic Elixir Cryptocurrency Library (Bitcoin, Ethereum, etc.) with extensive cryptography and number theory library
Interpretable modeling of cellular responses to drug perturbations using cycle consistence learning
Port of godot-math to D: vectors, matrices, rectangles, points, AABBs, planes, frustums.
A common interface used for modeling Mathematical Programs (e.g., Convex Optimization problems) in the language Go (Golang).
- convex-optimization
- linear-programming
- optimization
- quadratic-programming
This is a weather app for the MacOSX menubar that the user can easily click to find the weather. Uses CSS based design and gets data from OpenWeatherMap.
High performance, zero-allocation, low memory usage (8 bytes), low precision (17 digits), partially compatible with int64 and shopspring Decimal
Mutta Puffs is a sports league scheduler automated on thousands of computers from decentralized market of computational power in Golem.
a collection of small utlities useful for neuroimaging research
- utilities