CHRIS / functions.py

Commit History

updates to quantity module
e33154d

Robert Elder commited on

added total quantity estimator module
25ef50a

Robert Elder commited on

implemented OPERA melting point prediction
a26b7e6

Robert Elder commited on

adding exposure3 module with QRF model
d21d254

Robert Elder commited on

correctly adding exposure2_module, color2_module
90da2e9

robert.elder commited on

added tables and other edits
d76e680

dmsaylor commited on

Update functions.py
f077ddf
unverified

David Saylor commited on

merge with master (color additives)
2717fd5

dmsaylor commited on

added MP lookup and various bug fixes
3b7f36c

robert.elder commited on

added error output if Mw < 100 g/mol
d47d8f8

David Saylor commited on

Merge branch 'development' into smiles
b820f49

David Saylor commited on

updated to address feedback from Miguel on MDDT / master version
1d6f7ee

David Saylor commited on

broke out exposure calculation into different functions, added comments, and moved polymer input to a separate .py file
56199e3

David Saylor commited on

new branch with chem id functionality started
005ad92

David Saylor commited on

updated function names
ac3f130

David Saylor commited on

tidying things up
820bf6e

David Saylor commited on

blueprint for exposure module
24fbee3

David Saylor commited on

got blueprints working for facilitating module structure
53aedd4

David Saylor commited on