The Rocq Prover is an interactive theorem prover, or proof assistant. It provides a formal language to write mathematical definitions, executable algorithms and theorems together with an environment for semi-interactive development of machine-checked proofs.
A PyTorch Library for Accelerating 3D Deep Learning Research
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
High-performance C++ library for multiphysics and multibody dynamics simulations
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
A coupling library and ecosystem for partitioned multi-physics and multi-scale simulations, including surface and volume coupling.
- multi-physics
- fluid-structure-interaction
- high-performance-computing
- conjugate-heat-transfer
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
a numpy-like fast vector module for micropython, circuitpython, and their derivatives
Iterative Linear Quadratic Regulator with auto-differentiatiable dynamics models
- trajectory-optimization
- differential-dynamic-programming
- theano
- dynamics-models
Source code for "DeepDTA: deep drug-target binding affinity prediction"
- protein-ligand-interactions
- convolutional-neural-networks
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
A Network Integration Approach for Drug-Target Interaction Prediction
Dlang Core Library
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
Learning cell communication from spatial graphs of cells
TranslatedAntifouling coating evidence panel: formulation sandbox, route biofouling stress, literature bounds. Simulation ≠ measurement. Live: https://simulator.jassyhong.top
- biofouling
- formulation
- antifouling
- evidence-panel
Rails frontend to The Genome Institute's drug gene interaction database.
Variations on Kirby & Paris' hydra battles and other entertaining math in Coq (collaborative, documented, includes exercises) [maintainer=@Casteran]
- coq
- hydra-battles
- ordinal-notations
- formal-proofs
NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
Peax is a tool for interactive visual pattern search and exploration in epigenomic data based on unsupervised representation learning with autoencoders
Minerva Story is an image viewer that is designed specifically to make it easy for non-expert users to interact with complex tissue images.
- minerva
- microscopy
- ome
- immunofluorescence
Tool for precise, interactive, fast and scalable FISH spot detection