-
http://link.springer.com/chapter/10.1007/978-3-642-04031-3_34#page-1
-
**Describe the bug**
function: `Graphs.CharacteristicPolynomial( mol , mat = None )` does not run as described. Parameter mat cannot pass in None as described.
**To Reproduce**
when use
```
f…
-
## 一言でいうと
可逆変換可能なFlowモデルで、分子生成を行う手法。VAEは分布を経由するため厳密な生成ができない、GANは生成対象のコントロールが難しいという点をFlowモデルの厳密な潜在表現が得られる＋そこからの生成も可能という特性で解消している。ノード/エッジの潜在表現を別々に計算し生成を行なっている。
、有効な構造が生成されるようにしている。
 or not?
Do predict ligand conformation also have significant in binding with interac…
-
There are few function which are repeated in the repository. In this issue, I would like to document them and remove the remove a couple of them:
- [ ] `remove_missing_entries` in `uv_datasets.py`,…
-
Hello, Thank you for your code. But when I run main_gan and I set WGAN-Lambda = 0.0, the model can't generate a molecular graph, but some strange graphs. What's wrong with it? thanks a lot.
-
### Short title
Exploring the connectivity between observational data and molecular networks
### Pitch
Objective of this hackathon to explore to what degree is possible to build a Knowledge Graph s…