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Hello,
I am trying to work with prmtop generated using Intermol from a desmond cms file (2018-4 opls2005). I tried to do energy minimization using amber but it will fail:
[desmond_setup_2-out.cms…
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**UPDATE: Competition Deadline Extended to 31st March 2017. All necessary data can be found [here](https://docs.google.com/spreadsheets/d/1WWP8fE3X2BLzZ7jOm6bRWpnHZqVJBf8XgIYEb7hshXU/edit) (contains a…
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Hello,
I was wondering if new sequencing artefacts beyond what was described in the Genome Biology paper have been discovered now that Guppy has undergone several iterations since the version used …
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Reactome
http://amigo.geneontology.org/amigo/gene_product/UniProtKB:P62979
http://amigo.geneontology.org/amigo/gene_product/UniProtKB:P62987
About 90 annotations for both spanning many processe…
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While processing a small molecule MicroED dataset in `DIALS 3.dev.905-gd74643ba9`, I encountered a strange behavior of `dials.cosym`.
The attachment [221128_cosym_bug.tgz](https://github.com/dials/…
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Just replacing the dependency causes several regressions.
egonw updated
4 years ago
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I would like to move to 2.13 but have lot of errors with 3.0.1 version is the 3.0.2 or current code is fixing it ?
requirement file is not limiting the tf version indeed.
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For example, in the following code,
https://github.com/lucidrains/alphafold3-pytorch/blob/8196931836cee2b9f25628fbd3d1c317e2758fb8/alphafold3_pytorch/alphafold3.py#L3599
I believe `molecule_atom…
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Trying to enumerate all the ways that perses can be used, and might be used in future
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To address #39 but also other smaller issues that I was unhappy with I am in the process of rewriting the code from ground up. Rewrite is basically done and will go to `master` soon (few small things …