Natural Product - Protein Binding Affinity Prediction Toolkit
Project description
NPDD
Natural Product - Protein Binding Affinity Prediction Toolkit
Installation
Create environment:
conda create --name npdd
conda activate npdd
Install package
pip install NPDD
Prepare Data
Prepare your dataset or load a prepared NPASS dataset.
from NPDD import *
dataset = load_dataset(data=None, example=True)
IC50, Ki, Kd and full NPASS datasets are at https://huggingface.co/datasets/kaiya21/NPDD
Training
best_model, last_model = Training(dataset)
Inference
test_loader = dataset['test_loader']
results = Predict(test_loader)
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
npdd-0.0.8.tar.gz
(82.6 MB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
npdd-0.0.8-py3-none-any.whl
(82.6 MB
view details)
File details
Details for the file npdd-0.0.8.tar.gz.
File metadata
- Download URL: npdd-0.0.8.tar.gz
- Upload date:
- Size: 82.6 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.11
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
da977aa252f39ec91fef65021b4f394e34e67dc03c51a2fb9904ba09b13d6fbb
|
|
| MD5 |
834de09711f40f80857946c805d9e074
|
|
| BLAKE2b-256 |
e7101aba9b8afcb82cb5000d00b693c2ff45d0dd74a88db205fdafb1df06de6f
|
File details
Details for the file npdd-0.0.8-py3-none-any.whl.
File metadata
- Download URL: npdd-0.0.8-py3-none-any.whl
- Upload date:
- Size: 82.6 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.11
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
d671bfb70a320a614951e082bd8b05c52976aa060a8c1bbca7d8504c761cf3a7
|
|
| MD5 |
5e7a33e0a58c9604695442c724369e28
|
|
| BLAKE2b-256 |
edc581d96e6ffdb262e30598593537561b611c8bb21186e573669e393a4ba534
|
