@datagrok/bio 2.8.2 → 2.8.3
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/CHANGELOG.md +8 -0
- package/dist/package-test.js.map +1 -1
- package/dist/package.js +1 -1
- package/dist/package.js.map +1 -1
- package/package.json +1 -1
- package/src/package.ts +1 -1
- package/scripts/admet-requirements.txt +0 -7
- package/scripts/admet-run.py +0 -27
package/package.json
CHANGED
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@@ -5,7 +5,7 @@
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"name": "Leonid Stolbov",
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"email": "lstolbov@datagrok.ai"
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},
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"version": "2.8.
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+
"version": "2.8.3",
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"description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
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"repository": {
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"type": "git",
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package/src/package.ts
CHANGED
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@@ -246,7 +246,7 @@ export function webLogoViewer() {
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//tags: viewer, panel
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//meta.icon: files/icons/vdregions-viewer.svg
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//output: viewer result
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export function
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export function vdRegionsViewer() {
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return new VdRegionsViewer();
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}
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package/scripts/admet-run.py
DELETED
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@@ -1,27 +0,0 @@
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#!/usr/bin/env python2
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# -*- coding: utf-8 -*-
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"""
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Created on Mon Feb 19 17:30:46 2018
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@author: cbdd
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"""
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from sklearn.externals import joblib
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import numpy as np
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import pandas as pd
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import os
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###################################### Load model ##########
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# current_path = os.path.split(os.path.realpath(__file__))[0]
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cf = joblib.load('CYP3A4-substrate.pkl')
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###################################### Load descriptors ##########
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fingerprint_content = pd.read_csv('des.csv').ix[:, 1:]
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des_list = np.array(fingerprint_content)
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###################################### Prediction ##########
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y_predict_label = cf.predict(des_list)
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y_predict_proba = cf.predict_proba(des_list)
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print('#' * 10 + 'Results labels' + '#' * 10)
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print(y_predict_label)
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print('#' * 10 + 'Results probabilities' + '#' * 10)
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print(y_predict_proba)
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