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CHRIS / functions.py

Commit History

  1. updates to quantity module

    Robert Elder
    abe0ff4

  1. added total quantity estimator module

    Robert Elder
    3c8422a

  1. implemented OPERA melting point prediction

    Robert Elder
    c87f597

  1. adding exposure3 module with QRF model

    Robert Elder
    6c9c7cf

  1. correctly adding exposure2_module, color2_module

    robert.elder
    ec4a00e

  1. added tables and other edits

    dmsaylor
    07404f4

  1. Update functions.py

    David Saylor
    Unverified signature
    eb763c7

  2. merge with master (color additives)

    dmsaylor
    9aaa728

  1. added MP lookup and various bug fixes

    robert.elder
    4cf8bbb

  1. added error output if Mw < 100 g/mol

    David Saylor
    0043a04

  1. Merge branch 'development' into smiles

    David Saylor
    9327e44

  2. updated to address feedback from Miguel on MDDT / master version

    David Saylor
    10ad681

  1. broke out exposure calculation into different functions, added comments, and moved polymer input to a separate .py file

    David Saylor
    55e7549

  1. new branch with chem id functionality started

    David Saylor
    c0c5fff

  1. updated function names

    David Saylor
    73afb55

  1. tidying things up

    David Saylor
    8cf84d6

  2. blueprint for exposure module

    David Saylor
    c94fc71

  3. got blueprints working for facilitating module structure

    David Saylor
    db70ee2