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Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Da fix #96

Closed qle2 closed 3 years ago

qle2 commented 3 years ago
  1. Quick fix mismatching problems when splitting data
  2. Add toggles for different parameters when running main in main.py
pep8speaks commented 3 years ago

Hello @qle2! Thanks for opening this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 105:80: E501 line too long (101 > 79 characters) Line 106:80: E501 line too long (86 > 79 characters) Line 108:80: E501 line too long (116 > 79 characters) Line 109:80: E501 line too long (116 > 79 characters) Line 110:80: E501 line too long (107 > 79 characters) Line 136:80: E501 line too long (90 > 79 characters) Line 224:80: E501 line too long (121 > 79 characters) Line 225:80: E501 line too long (94 > 79 characters) Line 226:80: E501 line too long (88 > 79 characters) Line 228:80: E501 line too long (117 > 79 characters) Line 229:80: E501 line too long (89 > 79 characters) Line 229:80: E501 line too long (89 > 79 characters) Line 229:90: W292 no newline at end of file Line 229:90: W292 no newline at end of file Line 229:90: W292 no newline at end of file

Line 21:5: E266 too many leading '#' for block comment Line 24:5: E266 too many leading '#' for block comment Line 27:5: E266 too many leading '#' for block comment Line 28:46: E231 missing whitespace after ',' Line 28:80: E501 line too long (100 > 79 characters) Line 30:5: E266 too many leading '#' for block comment Line 38:5: E266 too many leading '#' for block comment Line 48:5: E266 too many leading '#' for block comment Line 51:5: E266 too many leading '#' for block comment Line 54:5: E266 too many leading '#' for block comment Line 57:5: E266 too many leading '#' for block comment Line 78:80: E501 line too long (114 > 79 characters) Line 85:80: E501 line too long (95 > 79 characters) Line 86:80: E501 line too long (101 > 79 characters) Line 88:80: E501 line too long (103 > 79 characters) Line 89:80: E501 line too long (108 > 79 characters) Line 92:80: E501 line too long (84 > 79 characters) Line 93:80: E501 line too long (113 > 79 characters) Line 95:80: E501 line too long (108 > 79 characters) Line 99:80: E501 line too long (119 > 79 characters) Line 101:80: E501 line too long (84 > 79 characters) Line 105:80: E501 line too long (106 > 79 characters) Line 121:80: E501 line too long (101 > 79 characters) Line 123:80: E501 line too long (102 > 79 characters)