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CHRIS / quantity_module /quantity.py

Commit History

  1. extending new template to all tools

    3v324v23
    570b086

  1. streamlining ceramic detection logic, again

    Robert Elder
    e97c3c4

  1. streamlining ceramic detection logic

    Robert Elder
    141ab09

  1. fixed total quantity module ID failure message

    Robert Elder
    b5ed7d2

  1. commenting out network debugging code

    Robert Elder
    4ba85cc

  2. fix for cactus/cirpy inaccessible, added inchi as identifier type, consolidated error files

    Robert Elder
    39ffbde

  1. quantity module: added number of extraction iterations as an input

    Robert Elder
    6e539a4

  1. various UI changes; fixed RNG for quantity module so results are deterministic

    Robert Elder
    0477602

  1. updated quantity module to use category-based sampling where possible

    Robert Elder
    ebbf57a

  1. adding more solvent viscosities

    Robert Elder
    35215a5

  1. ChemID update: check for valid smiles before doing other work. quantity module updates: added effect of swelling on solvent volume; added check for non-physical amount of swelling; updated error templates to be more informative

    Robert Elder
    e5d9ff4

  1. quantity module + qrf updates

    Robert Elder
    608b51d

  1. quantity module updates

    Robert Elder
    1e67b8e

  2. updates to quantity module; adding qrf_model_bundle trained in environment matching container

    Robert Elder
    e21c3f3

  1. fixing quantity module errors

    Robert Elder
    e5c6eb7

  2. updates to quantity module

    Robert Elder
    abe0ff4

  1. added total quantity estimator module

    Robert Elder
    3c8422a