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Rdkit Cheminformatics

Analyzes molecules and screens compounds using RDKit.

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More in Research

  • PDF GenerationConverts Markdown into polished PDFs and white papers with Pandoc.
  • RehydratePut the real values back into an analysis that was produced from GREEN (placeholder) text.
  • Research AnalystGathers information, analyzes data, and writes research reports with clear insights.
  • Mdanalysis TrajectoryAnalyze MD trajectories from GROMACS, AMBER, NAMD, CHARMM, LAMMPS. Reads.
  • Atomic DecompositionBreaks research ideas into atomic concepts that link math formulas to code.
  • Backward TraceabilityMakes every number traceable to code producing it.
  • Citation ManagementFinds missing citations, validates keys and manages BibTeX for LaTeX papers.
  • Data AnalysisGenerate statistical analysis code with 4-round review.