casp

There are 1 repository under casp topic.

• reymond-group / CASP-and-dataset-performance

  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.

  retrosynthesissynthesis-routessynthesisorganic-chemistrycomputer-aided-drug-designcaspdatasets
  Language:Jupyter Notebook 43
• linchemin

  syngenta / linchemin

  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.

  caspchemoinformaticspythonsynthesis
  Language:Python 30

• OneAngstrom / DeepTrajectory

  A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations

  deep-learningtemporal-learningstructure-predictioncaspprotein-refinementtensorflow
  Language:Python 8

• clacri / CASP14_MR_evaluation

  Data and code for the manuscript "Assessing the utility of CASP14 models for Molecular Replacement: https://doi.org/10.22541/au.162412334.48194370/v1

  casplikelihoodmodel-refinementmolecular-replacementstructure-prediction
  Language:Jupyter Notebook 1

• Perukii / cairo_sparkle

  Cairoベースの描画プラットフォーム

  cairo-sparklecaspcairo
  Language:C++ 1

• aniket-ak / Machine-Learning-CASP-Dataset

  Prediction of the RMSD (Root Mean Square Deviation) of a decoy set using Physicochemical Properties of Protein Tertiary Structure Data Set using Machine Learning

  machine-learningregressioncaspphysicochemical-propertiesdata-preprocessing
  Language:Jupyter Notebook 0

• ITEXAMSLAB / CAS-003-Dumps

  CompTIA CAS-003 Dumps PDF offered by ITEXAMSLAB is a comprehensive study material designed to help individuals prepare for the CAS-003 certification exam

  comptia-advanced-security-practitionercas-003cas-003-dumpscas-003-dumps-pdfcomptia-cas-003-dumps-pdfcaspcomptia-cas-003-sample-questions