hachmannlab/chemml issues and pull requests

#30 - Dependency Issue in Installation

Issue - State: open - Opened by YanjunLiu2 8 months ago

#29 - Z-Score

Issue - State: open - Opened by sarashaban 9 months ago

#28 - Merge Wrapper_aatish

Pull Request - State: closed - Opened by aatishpr 12 months ago

#27 - TypeError when loading dataset

Issue - State: open - Opened by HenriqueCSJ about 1 year ago

#26 - Merge wrapper_aatish to main

Pull Request - State: closed - Opened by aatishpr over 1 year ago

#25 - Xai, Pytorch DNN, Transfer Learning, Documentation

Pull Request - State: closed - Opened by aditya1707 over 1 year ago

#24 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: open - Opened by lgtm-com[bot] almost 2 years ago

#23 - GeneticAlgorithm function fitness argument does not check number of inputs

Issue - State: open - Opened by Dan-Christiansen about 2 years ago

#22 - eliminate for loops and use np.sum

Pull Request - State: open - Opened by maldil over 2 years ago

#21 - Test for preprocessing updated

Pull Request - State: closed - Opened by aatishpr over 2 years ago

#20 - Documentation and preprocessing updated

Pull Request - State: closed - Opened by aatishpr over 2 years ago - 1 comment

#19 - Book chapter related

Pull Request - State: closed - Opened by gvishwak over 2 years ago - 1 comment

#18 - Updated documentation, tutorials, regression metrics

Pull Request - State: closed - Opened by aatishpr almost 3 years ago - 1 comment

#17 - Save and load chemml models, get keras model from chemml model, trans…

Pull Request - State: closed - Opened by aditya1707 almost 3 years ago - 1 comment

#16 - Wrapper aatish

Pull Request - State: closed - Opened by aatishpr about 3 years ago - 1 comment

#15 - can we save a trained active learning model?

Issue - State: closed - Opened by GuptaVishu2002 over 3 years ago - 1 comment

#14 - Version updates

Pull Request - State: closed - Opened by aditya1707 over 3 years ago

#13 - select the test set for the Active Learning manually

Issue - State: open - Opened by GuptaVishu2002 over 3 years ago - 2 comments

#12 - Version updates

Pull Request - State: closed - Opened by aditya1707 over 3 years ago - 2 comments

#11 - Version updates

Pull Request - State: closed - Opened by aditya1707 over 3 years ago - 1 comment

#10 - Wrong import of pybel

Issue - State: closed - Opened by TimoSommer almost 4 years ago - 1 comment

#9 - Version updates

Pull Request - State: closed - Opened by aditya1707 almost 4 years ago - 2 comments

#8 - chemML cant read XYZ format as string

Issue - State: closed - Opened by HenriqueCSJ about 4 years ago - 1 comment

#7 - Fixed pybel import

Pull Request - State: closed - Opened by HenriqueCSJ about 4 years ago

#6 - Can't find pybel despyte it being installed and working

Issue - State: closed - Opened by HenriqueCSJ about 4 years ago - 2 comments

#5 - from chemml import wrapperRUN

Issue - State: closed - Opened by mirzanejad about 4 years ago - 1 comment

#4 - Directly feed ChemML with a RDKit molecule (object)

Issue - State: closed - Opened by HenriqueCSJ about 5 years ago - 2 comments

#3 - fixed GA test file

Pull Request - State: closed - Opened by gvishwak about 5 years ago - 1 comment

#2 - Updated documentation of magpie_python to conform to Sphinx standard

Pull Request - State: closed - Opened by bhargavaurala about 5 years ago - 2 comments

#1 - Update genetic_algorithm.py