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This is a follow up of discussion #7489. It affects all versions of RDKit.
**Is your feature request related to a problem? Please describe.**
The current implementation of reaction fingerprints …
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- [x] Create a set of suggested scoring criteria
- [x] Each of these should have an accessible implementation in HIPPO
- [x] Revisit base implementations with scaffold table (#132)
- [x] Assess perfor…
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Indexing a column of `sfp` type results in empty results when using GIST index. The simplest example is to look for identical reaction using tanimoto similarity search. Similarity searches for `bfp` a…
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Are these available? I can only see the test routes.
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Hi binghong
I am currently confused about building AI inputs from the routes like
['Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1>>Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc…
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I just tried to get an overview of the server classes fingerprints (`pynumaflow 0.7.0`);
| module | class_name | arg_name | arg_type |
|--------|------------|----------|----------|
| pynumaflow.m…
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HI Connor,
From your previous post I learned that a model can be retrained. I am unclear, however, on how to train a model from scratch or expand (augment the existing) training. Can you please exp…
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- [ ] I believe this to be a bug with Open Babel
- [x] This is a feature request
## Environment Information
Open Babel version: 2.4.1
Operating system and version: macOS High Sierra 10.13.4
Pro…
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**[ UUID ]** d35ef315-9bdf-471a-b24e-39433f88aa7c
**[ Session Name ]** Social experiments of privacy perceptions in Brazil
**[ Primary Space ]** Privacy and Security
**[ Submitter's Name ]** Dennys…
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### Use Case
Improve the time it takes to compile Wing programs for resources / platforms that require inflight code bundles (e.g. AWS Lambda)
### Proposed Solution
Improve bundling performance by …