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The authors addressed most of my minor concerns but failed to address my major critique simply because they do not know how to produce a molecular dynamics (MD) trajectory for testing. It is in within…
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Hi!
I was just talking to @Daniel-Mietchen and would like to update the https://opentraits.org website before the lightening talk at the Ronin Institute of Independent Scholarship at 8 Dec 2022.
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Three known options for structure implementation
1. One SKOS Concept per Area, with rdf:type per each Function
2. One SKOS Concepts per Area and separate Concept per Area Function with skos:similar …
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**Describe the bug**
Hi All, I am having some problems with AutodE trying to calculate an energy profile of a reaction of a direct carboxylation with CO2. No matter what I do, the calculation exits w…
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The fixedReserve feature in MOST and MATPOWER allows setting a fixed reserve requirement in power units (i.e. in MW).
The system can be divided into zones, and a fixed requirement can be set for each…
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待制作:发电机 (TODO : Generators)
- [x] 避雷针 - Lighting Rod(☑️);
- [x] 大型热交换机 - Large Heat Exchanger;
- [ ] 大型半流质发电机 - Large Semi-fluid Generator;
- [ ] 大型发电阵列 - Large Generation Array;
- [ ] …
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https://github.com/jaspervdj/hakyll/pull/844 added a new async runtime, but on SMT machines (eg. Intel's HyperThreading), it doesn't scale too well past the number of cores. Details are in https://git…
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Hi Simon,
I saw you forked my repo for Phoenix Slime (and possibly Slime). You're right, my efforts stalled after I got a working implementation and I haven't had time/energy to follow up to get i…
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Hello,
I have a problem of preparing receptor and ligand.
Take 1stp for example. The preparation process is as follows:
```python
#prepare receptor by ADFR suite
reduce 1STP.pdb > 1stp_1.p…
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Inside `SchemaExtensions`, the `RangeAttribute` handling only supports `int` values (`range.OperandType == typeof(int)`) so have to use `int` for all Range declarations which is limiting.
Tried to im…