molecular-graph Search Results

1000+ results
for molecular-graph

Best match

Best match Most commented Newest Recently updated Least commented Oldest Least recently updated

cvignac/DiGress #79

About node feature in non-molecular datasets

Hi: When I create my own dataset with node feature of 128 dimension, should I set self.node_types = torch.tensor(128*[1])? If I don't do so, how can I aviod RuntimeError: Expected size for first two …

Jary-lrj updated 5 months ago
1
recognizability/GraphMHC #1

What are the Nodes and Edges of GraphMHC?

Hi @recognizability Can you tell me what each Node and each Edge of a peptide and MHC is, and what these numbers mean? Thank you very much. Mỹ Diễm. ![Screenshot 2024-06-03 at 1 48 59 AM](htt…

ddiem-ri-4D updated 5 months ago
3
service-mesh-performance/service-mesh-performance #422

SMP: Convergence of Network and Graph topologies

**Description:** Opens the door to leveraging algorithms in the areas of Centrality, Community Detection, Pathfinding, Topological Link Prediction, etc. Bringing to bear advances made in Machine Learn…

Yashsharma1911 updated 3 months ago
1
IBM/pychemex #16

Categorise Descriptors

splitting #5 into two tickets. Come up with categorisation of discriptors. Come up with a clever way to store these categorisations.

JJanowiak updated 3 years ago
1
polaris-hub/polaris #138

Add nucleic acid modalities

`Modality` right now only supports a very limited number of cases. It would be helpful to have biomolecules beyond proteins, starting with nucleic acids. ### Describe the solution you'd like Add…

fteufel updated 3 months ago
1
KrishnaswamyLab/MAGIC #170

Implementing Molecular Cross Validation

**Is your feature request related to a problem? Please describe.** Currently, MAGIC tends to oversmooth data when using automatic `t` selection and graph fitting parameters. **Describe the solutio…

dburkhardt updated 5 years ago
2
mit-han-lab/torchquantum #222

bug help!!!!!

``` 0%| | 1/2303 [00:06

quantumliang updated 7 months ago
2
denoptim-project/DENOPTIM #61

Undirected graph

Speculative thread on the possibility to make the graph undirected. It is at all possible? Some notes and comments on this possibility: - Edges should become undirected: no more distinction betwee…

marco-foscato updated 2 years ago
2
geneontology/activity-flow-editor #1

General Overview / Requirements

Here is a [Mockup Presentation](https://docs.google.com/presentation/d/1vdwVyMrfj4YdbdJLuzfoTGf3BSWlXlLw4maXR7XtYUU/edit#slide=id.p1) of the workflow User requirements: - [ ] creating activity nod…

lpalbou updated 5 years ago
2
aimclub/GOLEM #115

Enhance Verification Constraints

This enhancement is requested by BAMT & EPDE users. Rationale: some domains work a lot with custom constraints on valid solutions. Examples are EPDE and molecular search (drug design). Making them mo…

gkirgizov updated 1 year ago
2

上一页 1...3 4 5 6 7 8 9...100 下一页

1000+ results for molecular-graph

1000+ results
for molecular-graph