I meet a question about the rdkit?Thank you #1

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opened 2025-10-14 17:37:30 -06:00 by navan · 0 comments

navan commented

2025-10-14 17:37:30 -06:00

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Originally created by @arncer on 1/20/2025

(DeepPurpose)` PS C:\Users\xYx\Desktop\cew\HNSPPI_V1.1> conda install -c conda-forge rdkit
Channels:

conda-forge
defaults
Platform: win-64
Collecting package metadata (repodata.json): done
Solving environment: done

Package Plan

environment location: D:\anaconda\envs\DeepPurpose

added / updated specs:
- rdkit

The following packages will be SUPERSEDED by a higher-priority channel:

certifi pkgs/main::certifi-2021.5.30-py36haa9~ --> conda-forge::certifi-2021.5.30-py36ha15d459_0

Proceed ([y]/n)? y

Downloading and Extracting Packages:

Preparing transaction: done
Verifying transaction: done
Executing transaction: done
(DeepPurpose) PS C:\Users\xYx\Desktop\cew\HNSPPI_V1.1> pip install git+https://github.com/bp-kelley/descriptastorus

Collecting git+https://github.com/bp-kelley/descriptastorus
Cloning https://github.com/bp-kelley/descriptastorus to c:\users\xyx\appdata\local\temp\pip-req-build-zyrlkraw
Running command git clone -q https://github.com/bp-kelley/descriptastorus 'C:\Users\xYx\AppData\Local\Temp\pip-req-build-zyrlkraw'
Resolved https://github.com/bp-kelley/descriptastorus to commit 9a190343bcd3cfd35142d378d952613bcac40797
Requirement already satisfied: pandas_flavor in d:\anaconda\envs\deeppurpose\lib\site-packages (from descriptastorus==2.7.0) (0.6.0)
ERROR: Could not find a version that satisfies the requirement rdkit (from descriptastorus) (from versions: none)
ERROR: No matching distribution found for rdkit

*Originally created by @arncer on 1/20/2025* (DeepPurpose)` PS C:\Users\xYx\Desktop\cew\HNSPPI_V1.1> conda install -c conda-forge rdkit Channels: - conda-forge - defaults Platform: win-64 Collecting package metadata (repodata.json): done Solving environment: done ## Package Plan ## environment location: D:\anaconda\envs\DeepPurpose added / updated specs: - rdkit The following packages will be SUPERSEDED by a higher-priority channel: certifi pkgs/main::certifi-2021.5.30-py36haa9~ --> conda-forge::certifi-2021.5.30-py36ha15d459_0 Proceed ([y]/n)? y Downloading and Extracting Packages: Preparing transaction: done Verifying transaction: done Executing transaction: done (DeepPurpose) PS C:\Users\xYx\Desktop\cew\HNSPPI_V1.1> pip install git+https://github.com/bp-kelley/descriptastorus Collecting git+https://github.com/bp-kelley/descriptastorus Cloning https://github.com/bp-kelley/descriptastorus to c:\users\xyx\appdata\local\temp\pip-req-build-zyrlkraw Running command git clone -q https://github.com/bp-kelley/descriptastorus 'C:\Users\xYx\AppData\Local\Temp\pip-req-build-zyrlkraw' Resolved https://github.com/bp-kelley/descriptastorus to commit 9a190343bcd3cfd35142d378d952613bcac40797 Requirement already satisfied: pandas_flavor in d:\anaconda\envs\deeppurpose\lib\site-packages (from descriptastorus==2.7.0) (0.6.0) ERROR: Could not find a version that satisfies the requirement rdkit (from descriptastorus) (from versions: none) ERROR: No matching distribution found for rdkit