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Suppose I work on a problem of link prediction where each entity may have some external source of embedding (a vector of a certain dimension, like a chemical fingerprint). I would like to add this ext…
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We need to decide what molecules to include in the first version of the dataset. Here is the current proposal based on the most recent meeting.
- Enamine building blocks
- The full set is much …
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Kategorije:
- Računarstvo visokih performansi (high performance computing)
- Skalabilni algoritmi (scalable algorithms)
- Napredna linearna algebra (advanced linear algebra)
- GPU
- Hibridn…
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I just became aware of this package:
https://github.com/m3g/CellListMap.jl
Its goal is to accelerate computations of forces, or any kind of interactions, that occur between pairs of "agents" in…
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As we are planning what to present in the manuscript I want to share here two proposition and ask for advice (mainly @Piotr8706 and @kdomino) which one is most valuable to use. It turned out that th…
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**Describe the bug**
Stereochemistry can be lost in `Molecule.to_openeye` in potentially weird cases. [This](https://github.com/openforcefield/openff-toolkit/blob/b1d8e7e1a2db4e6fc267afe47e734f29965b…
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- News
- Interspeech 2022 deadline: 3월 21일 / 28일 - 모두들 파이팅입니다.
- [AI미래포럼 1주년 웨비나: 차기정부 AI 국가전략: 30여개 질문 + 약간의 논쟁](https://www.youtube.com/watch?v=0cKpdZv_2F4)
- [New GPT-3 Capabilities: Edit …
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Is there a way to define a hierarchy of parameters?
for example a parameter that chooses architecture, and each architecture has its own parameters.
example (pseudo code):
```
architecture = ch…
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### Team Name:
Pratjz
### Project Description:
In this project, we will use Quantum Neural Network along with classical layers to create Hybrid Neural network using Pennylane & Tensorflow & A…
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### Team Name:
Quionizers
### Project Description:
Computes the ground state binding energies of glutamine in order to facilitate speedups in the development of novel Covid-19 vaccines. A p…