Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / rxn4chemistry/rxnmapper issues and pull requests
#58 - Improve error message for too long reactions
Pull Request -
State: closed - Opened by avaucher 13 days ago
Labels: cla-signed
#57 - Support for atom placeholders (as asterisks) in reaction SMILES
Pull Request -
State: closed - Opened by avaucher 13 days ago
Labels: cla-signed
#56 - Error generating rxn_maps due to mismatch in array size
Issue -
State: closed - Opened by starkAhmed43 22 days ago
- 6 comments
#55 - Relax version requirement for torch
Pull Request -
State: closed - Opened by avaucher about 1 month ago
Labels: cla-signed
#54 - Installation error with python 3.12
Issue -
State: closed - Opened by m-hyin about 1 month ago
- 2 comments
#53 - Add test for reactions with dative bonds
Pull Request -
State: closed - Opened by avaucher 3 months ago
Labels: cla-signed
#52 - Fix black and mypy
Pull Request -
State: closed - Opened by avaucher 3 months ago
Labels: cla-signed
#51 - Question on maintenance
Issue -
State: closed - Opened by DavidWalz 3 months ago
- 1 comment
#50 - Rdkit coordination "->" after SMILES sanitization creates invalid reaction
Issue -
State: closed - Opened by frederik-sandfort1 4 months ago
- 2 comments
#49 - custom gpu option
Pull Request -
State: open - Opened by Dion11235 8 months ago
- 2 comments
#48 - Dubious mapping case
Issue -
State: closed - Opened by parit 11 months ago
- 2 comments
#47 - Test on multiple Python versions
Pull Request -
State: closed - Opened by avaucher about 1 year ago
Labels: cla-signed
#46 - use get_attention_guided_atom_maps on generic compound
Issue -
State: closed - Opened by steven-bioinfo about 1 year ago
- 1 comment
#45 - if the atom mapping is invalid, should we remove this reaction when trainning model?
Issue -
State: closed - Opened by yangxfei about 1 year ago
- 2 comments
#44 - Could you share the script to train the model?
Issue -
State: open - Opened by xianruizhong over 1 year ago
- 1 comment
#43 - Make BatchedMapper more flexible
Pull Request -
State: closed - Opened by avaucher over 1 year ago
Labels: cla-signed
#42 - removed <4.9.0 from transformer versions
Pull Request -
State: closed - Opened by anuvc over 1 year ago
Labels: cla-signed
#41 - removed <4.9.0 from transformer versions
Pull Request -
State: closed - Opened by anuvc over 1 year ago
- 2 comments
#40 - Error while generating Atom-atom mapping
Issue -
State: closed - Opened by parit over 1 year ago
- 1 comment
#39 - Allow for torch version 2.0
Pull Request -
State: closed - Opened by avaucher over 1 year ago
Labels: cla-signed
#38 - Support for Python 3.11
Pull Request -
State: closed - Opened by avaucher over 1 year ago
Labels: cla-signed
#37 - pip error with python 3.11
Issue -
State: closed - Opened by tduigou over 1 year ago
- 13 comments
#36 - Running RxnMapper in batches and without raising errors
Pull Request -
State: closed - Opened by avaucher over 1 year ago
Labels: cla-signed
#35 - Can you share the code to reproduce the figure 4(A)?
Issue -
State: closed - Opened by jaewanlee93 almost 2 years ago
- 2 comments
#34 - Can not reproduce the result of Fig 4.
Issue -
State: closed - Opened by jaewanlee93 almost 2 years ago
- 2 comments
#33 - Explicit export of attribute "RXNMapper"
Pull Request -
State: closed - Opened by avaucher almost 2 years ago
Labels: cla-signed
#32 - More generous dependency versions to allow for Python 3.10
Pull Request -
State: closed - Opened by avaucher almost 2 years ago
Labels: cla-signed
#31 - Update setup.cfg
Pull Request -
State: closed - Opened by GZ82 almost 2 years ago
- 4 comments
#30 - Install rdkit via pip's extras_require
Pull Request -
State: closed - Opened by avaucher almost 2 years ago
Labels: cla-signed
#29 - Add mypy checks and typing support
Pull Request -
State: closed - Opened by avaucher almost 2 years ago
#28 - Imbalanced Stoichiometry/ Missing Atom Mapping
Issue -
State: closed - Opened by JHucker almost 2 years ago
- 2 comments
#27 - rxn module not present in 0.2.0 release -- ModuleNotFoundError
Issue -
State: closed - Opened by JHucker about 2 years ago
- 3 comments
#26 - Add bump2version
Pull Request -
State: closed - Opened by avaucher about 2 years ago
#25 - Move to setup via setup.cfg instead of setup.py
Pull Request -
State: closed - Opened by avaucher about 2 years ago
#24 - Bug fixes and improvements
Pull Request -
State: closed - Opened by avaucher about 2 years ago
#23 - Training dataset of rxnmapper?
Issue -
State: closed - Opened by Sunggi99 over 2 years ago
- 1 comment
#22 - Add black and isort, fix flake8
Pull Request -
State: closed - Opened by avaucher over 2 years ago
#21 - Cannot run on M1 Mac
Issue -
State: closed - Opened by ruslankotl almost 3 years ago
#20 - ValueError when processing reaction smiles
Issue -
State: closed - Opened by pgg1610 almost 3 years ago
- 2 comments
#19 - segmentation fault
Issue -
State: closed - Opened by sergeismolnikov about 3 years ago
- 3 comments
#18 - Script to finetune model?
Issue -
State: closed - Opened by chaoyan1037 about 3 years ago
- 1 comment
#17 - Wrapper scripts
Pull Request -
State: closed - Opened by UnixJunkie about 3 years ago
- 5 comments
#16 - False atom mapping result.
Issue -
State: closed - Opened by queliyong about 3 years ago
- 2 comments
#15 - Request: All source code to reproduce will be contained in this repository?
Issue -
State: closed - Opened by tsnguyen05 about 3 years ago
- 1 comment
#14 - Minor refactor to consolidate some featurization
Pull Request -
State: closed - Opened by d-b-w about 3 years ago
#13 - AttributeError: 'SmilesTokenizer' object has no attribute 'max_l
Issue -
State: closed - Opened by longthanhta over 3 years ago
- 4 comments
#12 - atom mapping for some reaction is error, how to fix this probrom
Issue -
State: closed - Opened by xiaoqiangsheng2016 over 3 years ago
- 4 comments
#11 - If a low confidence score means that the obtained mapped_rxn is invalid and can not use it?
Issue -
State: closed - Opened by queliyong over 3 years ago
- 2 comments
#10 - Error when installing from PIP
Issue -
State: closed - Opened by villalbamartin over 3 years ago
- 5 comments
#9 - Freeze to Transformers 4.0
Pull Request -
State: closed - Opened by bhoov almost 4 years ago
- 3 comments
#8 - Boolean index did not match
Issue -
State: closed - Opened by vmarar almost 4 years ago
- 2 comments
#7 - Boolean index did not match
Issue -
State: closed - Opened by vmarar almost 4 years ago
#6 - specify rdkit version
Pull Request -
State: closed - Opened by pschwllr about 4 years ago
#5 - why not use AlbertForMaskedLM to load the model path?
Issue -
State: closed - Opened by autodataming over 4 years ago
- 1 comment
#4 - process reactions by batch in `get_attention_guided_atom_maps`
Pull Request -
State: closed - Opened by WesleyyC over 4 years ago
#3 - what's the value of the per_gpu_train_batch_size in the process of trainning the model?
Issue -
State: closed - Opened by autodataming over 4 years ago
- 1 comment
#2 - does the vocab.txt come from the training file "uspto_all_reactions_training.txt"?
Issue -
State: closed - Opened by autodataming over 4 years ago
- 1 comment
#1 - correct word efault->default
Pull Request -
State: closed - Opened by autodataming over 4 years ago