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For example, what are matrix aggregating methods and can you give a description for each one more elaborately?
Is this similar to chemical fingerprints or not at all?
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First of all, we should set the context of this issue. We will speak around the linear solver, but these concepts are applicable for the whole ODE solver.
Our objective in the implementation of a G…
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## Implementing Automatic Differentiator
This issue tracks the implementation of an automatic differentiator for the expression compiler. The compiler parses expressions into binary trees, and this…
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I am trying to evaluate bonded and nonbonded forces at indivisible frequencies. With MM4, the stretch, bend and bend-bend (hereafter "bonded") are stable at 2.5 fs. Meanwhile, the nonbonded, nonbonded…
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# What is modulus?
From its official website, NVIDIA Modulus is `a neural network framework` that blends the power of `physics` (in the form of governing partial differential equations (PDEs)) with…
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# Waku Sync 2.0
Waku Sync 1.0 wraps the Negentropy (RBSR based) protocol. I believe that designing a new RBSR protocol specifically for Waku would increase it's usefulness and efficiency.
I will d…
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**Is your feature request related to a problem? Please describe.**
To efficiently simulate systems beyond a few dozen qubits, alternative methods are necessary due to the exponential increase in co…
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This looks fantastic! Will it work for large systems with sparse matrices linear solvers too?
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# Burnside's Lemma and Pólya Enumeration Theorem
It is used to count/find combinatorial objects (i.e. equivalence classes or orbits) associated with symmetry groups.
It is a result in group the…
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I recently learned about EngoEngine and had a chance to spend a few hours reading the code.
It was a fun experience and I learned a lot about how EngoEngine is implemented. I also had some ideas that…