Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides actionable insights. The toolkit provides a program interface to several Computer-Aided Synthesis Prediction tools, allowing users to devise and calculate metrics on predicted Chemical Synthetic Routes.
A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
Data and code for the manuscript "Assessing the utility of CASP14 models for Molecular Replacement: https://doi.org/10.22541/au.162412334.48194370/v1
Prediction of the RMSD (Root Mean Square Deviation) of a decoy set using Physicochemical Properties of Protein Tertiary Structure Data Set using Machine Learning
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