COBRApy is a package for constraint-based modeling of metabolic networks.
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Updated
Apr 8, 2024 - Python
COBRApy is a package for constraint-based modeling of metabolic networks.
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.
Files and methodology pertaining to the sequencing and analysis of SARS-CoV-2, causative agent of COVID-19.
Ribbon diagrams of proteins in #golang.
Computational synthetic biology: Predicting DNA edits for bioengineering
Python package to study microbial communities using metabolic modeling.
Contact map analysis for biomolecules; based on MDTraj
Analysis of non-covalent interactions in MD trajectories
An implementation of genome-scale model reconstruction using Cost Optimization Reaction Dependency Assessment by Schultz et. al
Data processing for serial crystallography
A python package to analyse qPCR data for single-use or high-throughput application
Analyze FRET Binding Data with R
A VR app which allows creation and manipulation of dynamic models of polypeptides. Focus is fun and learning.
Experimental tech-demo for PhD thesis in Scientific Markdown; official:
Ligand-binding site classification with deep graph neural networks.
Growing suite of proteomics simulations for educational purposes
Python toolkit and package for analyzing enzyme activity data
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