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Copying from the alchemistry Slack channel from @davidlmobley:
We're having some issues with our work on binding mode sampling with NCMC (in BLUES), especially as we try to switch to the `AlchemicalN…
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Here describes why are you proposing this to do , in which context and which literature are you using for this.
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@lpalbou made a ticket here so we can discuss this SPARQL query
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Dear all,
I am currently testing some possibilities of modeling a periodic bulk structure of quartz. The topology, in principle, makes use of bond across images.
I would like to evaluate the pos…
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The Protein Complex Working group has decided that annotations to GO:0032991 protein-containing complex & children should NOT be allowed with the colocalizes_with qualifier, see #1500.
**There ar…
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Possible "commitments":
- be member of the scientific board, and e.g. do preperatory work:
- collecting literature that should be cited
- collect pathway drawings that can be digitized in WikiPat…
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In our experiment, we cross-linked chromosome fragments that may interact in three-dimensional space, basecalling with dorado and identifying methylation information. I need to split the cross-linked …
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A section in the only [prmtop](https://ambermd.org/prmtop.pdf) documentation I can find reads:
> If the third atom is negative, then the 1-4 non-bonded interactions for
this torsion is not calcula…
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I want to be able to make an interaction in which genetic production actually comes from a particular CDS, rather than a whole transcriptional unit. Otherwise, multi-product TUs are in the strange sta…
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Hello,
I have some problem regarding the Keras dependency of IPMiner. If I use the version you recommend, Keras 0.1.2, I get the following error when running IPMiner :
Traceback (most recent call …