Comments (1)
Hi, the file crossdocked_pocket10_name2id.pt
is automatically generated by the code. You can just remove the crossdocked_pocket10_processed.lmdb
and rerun the sampling script. Both the crossdocked_pocket10_processed.lmdb
and the crossdocked_pocket10_name2id.py
will be generated.
from pocket2mol.
Related Issues (20)
- Clarification on Pocket2Mol model training with CrossDocked2020 dataset HOT 2
- ValueError in Loading dataset... HOT 4
- Non E(3) equivariant model issue HOT 4
- Problem about gpu memory HOT 2
- TypeError: cannot pickle 'generator' object HOT 5
- Question about training time HOT 2
- AttributeError: 'NoneType' object has no attribute 'knn_graph' HOT 2
- Differences between sample.py and sample_for_pdb.py HOT 1
- train::ERROR] Runtime Error Pin memory thread exited unexpectedly HOT 1
- Give permission to create branches?
- GPU not used when running sample_for_pdb.py HOT 1
- sampling issues HOT 2
- Receptors containing metal ions at binding sites HOT 1
- Argparse regression HOT 1
- Skipping in training HOT 4
- protein_root setting HOT 1
- Preprocessing required for sampling for a pdb file HOT 2
- Initialization failed issue HOT 1
- Error Encountered in Molecule Sampling Using PDB File
- Is it required to train the models before using or can use pre-trained model?
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 pocket2mol.