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Tags: Science and math
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73–96 of 98 · Most stars

A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design

  • protein
  • protein-sequences
  • protein-design
  • representation-learning

Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux

PyTorch implementation of the MIDAS algorithm for single-cell multimodal data integration (Nature Biotechnology 2024).

  • deep-generative-model
  • deep-learning
  • single-cell-data-integration
  • single-cell-multiomics

Peax is a tool for interactive visual pattern search and exploration in epigenomic data based on unsupervised representation learning with autoencoders

C# math expression library with symbolic computation support

  • csharp
  • dotnet
  • expression-parser
  • math

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

Java Scientific Computing Library - Signal Processing, FFT, Filters, PSD, DCT, SciPy-like APIs for JVM & Android used in Machine Learning and Data Science.

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models

Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).

  • deep-reinforcement-learning
  • generative-model
  • vae
  • molecule-generation

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.

Interpretable modeling of cellular responses to drug perturbations using cycle consistence learning