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Each implementation has very different expectations of its inputs and outputs:
- 1D: Expects inputs of size `(B, 1, T)`, outputs `(B, P, T/2**J)`, where `P` is the number of scattering coefficients. …
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Sorry for going back and forth between theories but I had some general questions:
1. The statistical property for `inter-chromosomal/ long range intra-chromosomal` contacts- explained is definitely…
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I submitted a PR to Chainer-chemistry (https://github.com/pfnet-research/chainer-chemistry/pull/90) on sparse matmul for graph convolution. And now I'm considering how to generalize it for Chainer, be…
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Dear Developer,
My name is Joaquim Jornet-Somoza (quim), postdoctoral researcher on theoretical and computational chemistry.
I have a set of xyz files (in fact, one file with concatenated xyz blo…
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Even Semester Subject assigned to Lecturer for 1st Assessment Exam as
**Architecture 2nd Semester**
Building Material-II | Kamala Dangol
Building Material-II | Indu Duwal
Communication …
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One of the recommendations in the E-CAM project is that we use a proper change log. I'm unsure whether we need this, since I think that the git repository and GitHub serve this role for us. When I nee…
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In your typical example "plotScores" with parameter pcs=c(1,2) creates a display plot of PC2 scores versus PC1 scores. I assume that if pcs is changed to pcs=c(2,3) and the line executed that the n…
CCF49 updated
5 years ago
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We list a lot of books without giving full details; we should give full details and citations.
Additionally, we should make sure that one or more of the authors actually knows and would recommend e…
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Hello Seb,
I am trying to compare the PySCF/FCI and CheMPS2/DMRG solver for excited state calculations.
When I executed the script over and over, the FCI is stable while the DMRG solver gave rand…
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As a newcomer to computational chemistry, I'm finding it difficult to find the source for certain datasets that are hosted in deepchem's AWS server. I've been specifically looking for papers or datase…