Comments (2)
DrrDom
commented on August 24, 2024
1
The documentation is not updated automatically from docsrings for some reason anymore. However, you may look at the source code and there is a docstring for this function. It returns a list of SMILES of fragments which correspond to given selection criteria (e.g. radius, size, etc) like in mutate_mol and other functions. I do not think this is an important function, but it some cases it maybe useful.
from crem.
MachineGUN001
commented on August 24, 2024
The documentation is not updated automatically from docsrings for some reason anymore. However, you may look at the source code and there is a docstring for this function. It returns a list of SMILES of fragments which correspond to given selection criteria (e.g. radius, size, etc) like in
mutate_moland other functions. I do not think this is an important function, but it some cases it maybe useful.
thanks for your explanation. I'll close the issue.
from crem.
Related Issues (20)
- No such table: radius3 HOT 2
- fragmentation py issue: Can't generate mol for: SMILES HOT 6
- Reproducible output HOT 1
- grow_mol error when used on fragments with dummy atoms HOT 2
- Annoying [13:51:55] WARNING: not removing hydrogen atom with dummy atom neighbors HOT 1
- Problem with guacamol_test.py HOT 1
- AtomKekulizeException: non-ring atom 2 marked aromatic HOT 2
- fragmentation problem HOT 6
- Results different between online app and local version HOT 2
- [bug] package is incompatible with python 3.11+ HOT 1
- Multiple replacements in grow_mol HOT 2
- error of enumerate_compounds function HOT 4
- enumerate_compounds: filtering the generated molecules to meet my criteria HOT 5
- how to employ the grow_mol2/mut_mol2 function HOT 2
- Issue in HOT 3
- Database Visualization and Variation Inquiry HOT 1
- Fragmentation HOT 4
- Parameters relevant for speed in mutate_mol HOT 11
- Opening Pre-Compiled Databases 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 crem.