beangoben/chemorgan issues and pull requests

#32 - Implementing metric loading

Issue - State: open - Opened by couteiral over 7 years ago
Labels: in progress

#31 - Merge pull request #4 from beangoben/master

Pull Request - State: closed - Opened by couteiral over 7 years ago

#30 - Pull request

Pull Request - State: closed - Opened by couteiral over 7 years ago

#29 - Merge pull request #3 from beangoben/master

Pull Request - State: closed - Opened by couteiral over 7 years ago

#28 - Latest update

Pull Request - State: closed - Opened by couteiral over 7 years ago

#27 - Pull

Pull Request - State: closed - Opened by couteiral over 7 years ago

#26 - Pull request: ChemORGAN turned to library.

Pull Request - State: closed - Opened by couteiral over 7 years ago

#25 - Pull request

Pull Request - State: closed - Opened by couteiral over 7 years ago

#24 - Merge with latest changes

Pull Request - State: closed - Opened by couteiral over 7 years ago

#23 - Check symmetry metric

Issue - State: closed - Opened by couteiral over 7 years ago

#22 - Fix CNN slowdown

Issue - State: open - Opened by couteiral over 7 years ago
Labels: in progress

#21 - consolidate all metric in one file

Issue - State: closed - Opened by beangoben over 7 years ago

#20 - metric speedup

Issue - State: closed - Opened by beangoben over 7 years ago

#19 - multiple gpu parallelization

Issue - State: open - Opened by beangoben over 7 years ago

#18 - merge changes

Pull Request - State: closed - Opened by beangoben over 7 years ago

#18 - merge changes

Pull Request - State: closed - Opened by beangoben over 7 years ago

#17 - test lambda screening

Issue - State: closed - Opened by beangoben over 7 years ago

#16 - test training programs

Issue - State: closed - Opened by beangoben over 7 years ago

#16 - test training programs

Issue - State: closed - Opened by beangoben over 7 years ago

#15 - load training files

Issue - State: closed - Opened by beangoben over 7 years ago

#14 - Remove metrics from compute_results in mol_metrics

Issue - State: closed - Opened by beangoben over 7 years ago

#14 - Remove metrics from compute_results in mol_metrics

Issue - State: closed - Opened by beangoben over 7 years ago

#13 - Increase the efficiency of the metrics

Issue - State: closed - Opened by couteiral over 7 years ago

#12 - Post-processing scripts

Issue - State: open - Opened by beangoben over 7 years ago
Labels: ready

#11 - Train on toy dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#11 - Train on toy dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#10 - Cleanup code in ORGAN

Issue - State: open - Opened by beangoben over 7 years ago
Labels: in progress

#9 - Define Fourth problem-dataset?

Issue - State: closed - Opened by beangoben over 7 years ago

#9 - Define Fourth problem-dataset?

Issue - State: closed - Opened by beangoben over 7 years ago

#8 - Define Third problem-dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#8 - Define Third problem-dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#7 - Symmetry metric

Issue - State: closed - Opened by beangoben over 7 years ago

#7 - Symmetry metric

Issue - State: closed - Opened by beangoben over 7 years ago

#6 - Revise Diversity metric

Issue - State: closed - Opened by beangoben over 7 years ago

#6 - Revise Diversity metric

Issue - State: closed - Opened by beangoben over 7 years ago

#5 - Revise Novelty Metric

Issue - State: closed - Opened by beangoben over 7 years ago

#5 - Revise Novelty Metric

Issue - State: closed - Opened by beangoben over 7 years ago

#4 - Traing GP or NN for PCE estimation

Issue - State: closed - Opened by beangoben over 7 years ago

#4 - Traing GP or NN for PCE estimation

Issue - State: closed - Opened by beangoben over 7 years ago

#3 - Get PCE dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#3 - Get PCE dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#2 - Get drug-candidate dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#2 - Get drug-candidate dataset

Issue - State: closed - Opened by beangoben over 7 years ago

#1 - Clean the repo to be chem only

Issue - State: closed - Opened by beangoben over 7 years ago
Labels: enhancement

GitHub / beangoben/chemorgan issues and pull requests