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I followed the instructions in the GitHub repo bondnet branch to use the updated version of bondnet.
When I tried to train, I get the following error:
(rxnrep) Adityas-MacBook-Pro:rxnrep adityab…
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**书名** | **作者** | **出版社** | **索书号** | **出版日期** | **版本** |--
--|--|--|--|--|--|--
| A book on C : programming in C [(目录和简介)](http://202.120.227.5:8080/harvard/mit_links/mt251.doc) | Al Kelley, Ira …
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When indexing is performed with IndexBuilderMain by streaming RDF serialized in Turtle, indexing will fail if the input has `@prefix` directives after triples.
Example input: https://ftp.ncbi.nlm.n…
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Based on the conclusions in #6 and related to #15, we would like to investigate rendering the isosurfaces without JSMol.
@samreid said
> Perhaps when @jonathanolson has some free time, he could he…
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Initial notes on proposed scope and definition of these VA type, based on requirements and considerations documented [here](https://docs.google.com/document/d/1J4AqGDEqyK8KAzfiowgHYKJNvzHuwHSHgkN9dleL…
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# Brown Univ. Introduction to Bioconductor 2018, Period 1
## A comment on how to use the notebook
It is probably best to "clear" all cells at first. We will go through text, look
at the code…
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We need to settle how to handle non-ThermoML datasets within the `PropertyCalculator` framework, most immediately for calculation of equilibrium expectation values of other properties.
As noted here …
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# How are things stored today?
## Courses in Studio Storage
* store static assets (images, PDFs, etc.) in MongoDB/GridFS
* files are in a folder structure, though only a flat view is available …
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I find that the Hamiltonians obtained from pyscf and psi4 are different. For example, there will be differences at $l>=1$ for water under `def2-svp` basis. I guess the difference comes from the AOs ar…
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I was looking at this [shex.js repo](https://github.com/shexSpec/shex.js)
Is there a shex to json converter? This would be awesome. The main use case is for Noctua Form to chunk the model. The fo…