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**Is your feature request related to a problem? Please describe.**
rdkit does not want to read the following SMILES:
```
(c2cc(N3CCOC[C@@H]3C)nc(N4CC5CCC(C4)O5)n2)c0cnc1ccccc1c0
```
Many program …
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Hi Anna, Please cross check the recurated batch 85
- directed: true
graph:
drug: Trichlormethiazide
drugbank: DB:DB01021
drug_mesh: MESH:D014237
disease: H…
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## ❓ Questions & Help
Hi,
I would like to clarify if the implementation of NNConv is one where **virtual edges** are created and a fully-connected graph is used.
Or the message passing is perform…
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Hi all,
I just got a new macbook M1 and was excited to compile pyscf onto it.
* I am running natively using `miniforge.`
* I compiled the pyscf libraries as noted in the instructions, either u…
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> One slightly hacky way to preserve some more information than just the molecular structure would be to make an unconnected sub-graph with one node, and just make a rule for how that node's weight wi…
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Use this issue template to claim a group of indications for curation. This issue will let other curators know that you have claimed this group to prevent duplicate work. This issue will also be tied t…
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This ticket will represent the work required to backup and manually restore all RDPC services.
- [x] Kafka (filestore). Initial investigation completed here: https://github.com/icgc-argo/rdpc-infra/…
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Export GO annotations and supporting data in GPAD and GPI formats instead of GAF.
File format spec here:
http://wiki.geneontology.org/index.php/Final_GPAD_and_GPI_file_format
raise priority when GOC…
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Hi all,
I'm using BSS to generate a series of FEPs that are 'abstractions' of real FEPs. I make the series (mostly using rdkit) through SMARTS generation between two (drug-like) ligands and then I …
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On Variant Details page we should show:
* variants on the same codon.
* same exon or +/- X AA away
* Same protein domain
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Very useful for ACMG classifications involving hotspot…