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**Affected BGC**
[BGC0000581](https://mibig.secondarymetabolites.org/repository/BGC0000581/#r1c1)
microcin J25 biosynthetic gene cluster from Escherichia coli
**Describe the error**
- The BGC p…
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When you insert a smiley in a newsletter (editing with
FCK) and send it, the receiver doesn't see the smiles.
The URL in the message source is wrong (there is a
relative path to the image file but we …
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Hi,
I am trying to find physicochemical properties using chemmine R properties but it is showing error. Please help me out asap. This is urgent,
This is the smiles string for the compound I am wor…
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If useful can add benchmarks on regression on barriers (TS) on several datasets
(such as those in https://zenodo.org/record/6937747)
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In the code for the dataset PCQM4M, the function [`_load_smiles`](https://github.com/deepmind/deepmind-research/blob/6fcb84268e74af981ae1496bfc2cb9ba9d701ef2/ogb_lsc/pcq/dataset_utils.py#L279-L298) is…
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I'll start by saying I'm not certain how Markdown tables get styled by our CSS theme. I'm seeing different columns widths in HTML and PDF (generated by Athena).
(Ignore the page break & als…
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**Describe the bug**
I noticed an interesting stereo-related issue when neutralizing a protonated atom, specifically when the atom continues to be a chiral center after the hydrogen is removed and …
mcs07 updated
1 month ago
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Dear Developer,
Is there any option for reaction mapping from list of reaction smiles?
Currently I have file of reaction list and I would like to map many reactions.
Any suggestion and advices ar…
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Hi, did you guys test GEM-2 model on LIT-PCBA by generating 3D coordinates from SMILES string?
If then, can I find a code for it?
Thank you.
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This happens when I try to convert molecule into CDX via `/v1/convert/molecule`:
``` json
{
"molecule": {
"value": "Fc1cc(c(F)cc1F)C[C@@H](N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F",
"input…