Comments (2)
Hi @ZixuanFeng-NYU
It seems there is an issue in the .sdf file you are trying to give as input, it is hard for us to give you any further indication on top of what is already contained in the Exception without access to the file or other further detail.
from diffdock.
I will close the issue for inactivity, please reopen it if the problem persists
from diffdock.
Related Issues (20)
- Installation issue HOT 4
- The "skip" issue encountered after running the inference HOT 7
- spyrmsd dependency, why not installed with pip ? HOT 1
- Problem with openfold installation. HOT 2
- a problem with running Graphical UI HOT 2
- Training large models using train.py
- error while running the inference example HOT 3
- How to replicate results? HOT 2
- installation problem/ running interface python : No module named 'torch' (How to install torch and its dependencies properly?) HOT 1
- Running inference on multiple GPUS HOT 2
- _LinAlgErr when running inference HOT 2
- Installation failed (Openfold, CUDA issues) HOT 4
- Failed on different complexes for inference.py on CPU and GPU are different for different batch size HOT 4
- Running without docker HOT 1
- errors when to run inference.py with vesion 1.1.2 HOT 1
- Side chains relevance in DiffDock predictions
- bfloat16 version of Diffdock
- Float division by zero on CUDA memory outage
- Web UI 'Samples Per Complex' Input Not Reflecting Changes
- ValueError: No edges and no nodes 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 diffdock.