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- [ ] A tutorial on DeepChem dataloaders and how a DataLoader can be used to load in a new dataset
- [ ] A tutorial on deep microscopy, focusing on cell counting and cell segmentation
- [x] A tuto…
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I used the following code:
```
from jarvis.db.figshare import data
d = data('qm9_std_jctc')
```
The 1st data in QM9 dataset obtained from JARVIS:
```
{'mu': -1.77790756800166,
'alpha': -7…
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Hi,
I'm not entirely sure, if this is the right place to discuss this. if not it would be great if someone could point me to the appropriate place.
I'm currently thinking about SBML IO and SBML Id…
tpfau updated
6 years ago
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Historically we used `qcelemental.models.Molecule.extras` for storing e.g. `canonical_isomeric_explicit_hydrogen_mapped_smiles`, but we may wish to start using `qcelemental.models.Molecule.identifier`…
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publication: https://academic.oup.com/nar/article/51/D1/D1288/6761740
example drug record: http://drugmap.idrblab.net/data/drug/details/DM6A0X7
download page: http://drugmap.idrblab.net/full-data-do…
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When trying to load a mol2 file as a structure, I'm getting an error from the head/tail residue bond logic:
```Python 2.7.15 |Anaconda, Inc.| (default, Nov 13 2018, 23:04:45)
[GCC 7.3.0] on linux2…
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This morning I am feeling very inspired by some work that @anastasiyaprymolenna , @sierra-moxon and others were doing last night. I'm talking about reviewing a [PR I made for simplifying ChemicalConve…
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I am sitting next to @JervenBolleman, he is showing me his conversion of swisslipids to obo/owl based on https://beta.sparql.swisslipids.org/. It would be great if we can agree on a canonical serializ…
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Currently, when a molecule is passed to a template generator it's looked for in the cache (if one is provided). The algorithm for doing this involves creating a Molecule object for each SMILES string …
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@miike made a very nice new page on the wiki about technical operations.
http://openwetware.org/wiki/OpenSourceMalaria:Technical_Operations
Was _just_ about to do this myself. Nice one Mike.
@miike…