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
Comprehensive cybersecurity glossary database featuring 60+ terms across certifications, roles, concepts, organizations, and skills. Built as a clean, searchable reference tool for cybersecurity professionals, students, and career-changers. Includes detailed definitions for all major industry certifications (CompTIA, (ISC)², GIAC, EC-Council)📚.
ARC: single-model protein complex quality assessment using ensemble GNNs with strong discrimination of true interface residues
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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