Skip to content

Issues: wengong-jin/icml18-jtnn

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

29 Open 31 Closed
29 Open 31 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Kekulization Error
#65 opened Feb 26, 2023 by Yuvaraj7UV
4
How are the logp-sa scores in the training data computed?
#62 opened Mar 10, 2022 by zichaow
importError: cannot import name 'flatten_tensor' from 'nnutils'
#60 opened Apr 5, 2021 by sbanwaskar
gen_latent.py: smile code not found
#57 opened May 21, 2020 by chaitanyadwivedii
1
MAX_NB measuring
#54 opened Mar 16, 2020 by minstar
Scaffold Molecule for ZINC dataset
#53 opened Mar 12, 2020 by ksh981214
A problem while I run preprocess.py
#52 opened Jan 4, 2020 by zoey1996
2
System Requirements
#51 opened Dec 29, 2019 by MohsenFazaeli
Necessity of benzynes and penzynes default values
#49 opened Sep 13, 2019 by wderekjones
Cannot load vocab -- mol is None
#48 opened Aug 28, 2019 by tawe141
Deriving MolVAE Vocabulary requires Scipy, but it's not in the requirements.txt
#47 opened Aug 26, 2019 by tawe141
Any documentation about the fast version?
#46 opened Aug 11, 2019 by toushi68
is '#Predict stop' in jtnn_dec.py topological prediction?
#44 opened Jul 10, 2019 by anny0316
2
reconstruct and gen_latent for fast_jtnn
#43 opened Jul 3, 2019 by apbusia
1
change data[0] to data.item()
#42 opened May 8, 2019 by asawanggaa
Still can't get the same reconstruct score.
#41 opened Apr 21, 2019 by manurubo
1
Bug on icml18-jtnn/fast_jtnn/chemutils.py", line 324, in check_aroma
#39 opened Apr 8, 2019 by huangwb
1
fast molopt
#32 opened Jan 29, 2019 by redBirdTx
1
Runtime error while generating latent features for own data
#29 opened Oct 8, 2018 by NamanChuriwala
Error getting latent molecule representation - JTNNVAE fails to initialize
#26 opened Sep 17, 2018 by jgmeyerucsd
3
about timing
#25 opened Sep 15, 2018 by ghost
1
Using metric different from octanol-water partition coefficients (logP) in Bayesian Optimization
#23 opened Sep 7, 2018 by NamanChuriwala
RuntimeError: grad can be implicitly created only for scalar outputs
#21 opened Sep 5, 2018 by NamanChuriwala
3
Inconsistency between Eq. 15 and jtmpn.py:L81-L108?
#19 opened Sep 3, 2018 by BarclayII
A TypeError of one function in chemutils.py
#12 opened Jun 23, 2018 by limaosen0
ProTip! no:milestone will show everything without a milestone.