Comments (4)
Thanks! I just re-cloned your repo, and tried this:
java -jar target/MAYGEN-1.7.jar -f c10OH16 -v -t -o odir/ -sdf -m 4
I am still getting this error:
java.util.concurrent.ExecutionException: java.lang.ArrayIndexOutOfBoundsException
Thanks!
Hai Leong
from maygen.
@chaileon We are still working on the issue in writing into SDF in multithread mode.
from maygen.
from maygen.
@chaileon We solved the issue and tested with the new release V.1.8.
from maygen.
Related Issues (20)
- Add test for uneven degree sum to recognise early that no structure will be generated HOT 1
- [enhancement] MAYGEN output as SMILES HOT 5
- [enhancement] Output only total # structures without generating sdf HOT 1
- generating output sdf HOT 3
- number of threads -> 79 HOT 5
- The number of threads is not as expected.
- SDF generation issue HOT 4
- MAYGEN generates wrong valences HOT 2
- Readme instructions list wrong option HOT 1
- Add an option to filter invalid valences HOT 6
- Option to constraint generation to contain specific substructures HOT 1
- feature suggestion: move version information, add help option HOT 5
- feature suggest: extend export of .sdf
- feature suggestion: extend consideration of stereo chemistry HOT 1
- Console output for -smi is not working
- There is no generated file for only -o key.
- Add structure filters HOT 1
- Cdk 2.8 was released HOT 2
- Add links in readme ? HOT 2
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from maygen.