Trending repositories for topic computational-biology
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A comprehensive library for computational molecular biology
Interactive network visualization in Python and Dash, powered by Cytoscape.js
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
Spatial alignment of single cell transcriptomic data.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A comprehensive library for computational molecular biology
Interactive network visualization in Python and Dash, powered by Cytoscape.js
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
A comprehensive library for computational molecular biology
A publicly-editable collection of open computational neuroscience resources
Interactive network visualization in Python and Dash, powered by Cytoscape.js
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A list of schools and researchers in computational neuroscience
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
A comprehensive library for computational molecular biology
A publicly-editable collection of open computational neuroscience resources
Interactive network visualization in Python and Dash, powered by Cytoscape.js
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
A list of schools and researchers in computational neuroscience
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A comprehensive library for computational molecular biology
A list of schools and researchers in computational neuroscience
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
PyMOL extension to color AlphaFold structures by confidence (pLDDT).
An interoperable Python framework for biomolecular simulation.
:gem: An easy-to-use workflow for generating context specific genome-scale metabolic models and predicting metabolic interactions within microbial communities directly from metagenomic data
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
CodonTransformer: The ultimate tool for codon optimization, optimizing DNA sequences for heterologous protein expression across 164 species.
A publicly-editable collection of open computational neuroscience resources
Mixed continous/categorical flow-matching model for de novo molecule generation.
PyMOL extension to color AlphaFold structures by confidence (pLDDT).
An interoperable Python framework for biomolecular simulation.
Mixed continous/categorical flow-matching model for de novo molecule generation.
CodonTransformer: The ultimate tool for codon optimization, optimizing DNA sequences for heterologous protein expression across 164 species.
StrainDesign is a python package for the computational design of metabolic networks and based on COBRApy
A Package for Cas9-Enabled Single Cell Lineage Tracing Tree Reconstruction
:gem: An easy-to-use workflow for generating context specific genome-scale metabolic models and predicting metabolic interactions within microbial communities directly from metagenomic data
STAPLE (Shared Tools for Automatic Personalised Lower Extremity modelling) consists of a collection of methods for generating skeletal models from three-dimensional bone geometries, usually segmented ...
A comprehensive library for computational molecular biology
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
CodonTransformer: The ultimate tool for codon optimization, optimizing DNA sequences for heterologous protein expression across 164 species.
Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A comprehensive library for computational molecular biology
A list of schools and researchers in computational neuroscience
scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
CodonTransformer: The ultimate tool for codon optimization, optimizing DNA sequences for heterologous protein expression across 164 species.
A publicly-editable collection of open computational neuroscience resources
DANCE: a deep learning library and benchmark platform for single-cell analysis
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
Clair3 - Symphonizing pileup and full-alignment for high-performance long-read variant calling
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
Mixed continous/categorical flow-matching model for de novo molecule generation.
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
An interoperable Python framework for biomolecular simulation.
PyMOL extension to color AlphaFold structures by confidence (pLDDT).
A curated list of awesome computational cryo-EM methods.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
A curated list of awesome self-learning materials in Computational Structural Biology, such as sources, tutorials, etc.
StrainDesign is a python package for the computational design of metabolic networks and based on COBRApy
Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
C.Origami, a prediction and screening framework for cell type-specific 3D chromatin structure.
An integrated visual environment for metabolic modeling with common methods such as FBA, FVA and Elementary Flux Modes, and advanced features such as thermodynamic methods, extended Minimal Cut Sets, ...