symbolic_rxn

(★ 13)

Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

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Amino-Acid-Embedding ★ 16

:microscope: Train an Amino Acid Embeddings (or a dragon?)

Matlab
wesleyyc.github.io ★ 8

Personal Website

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  • .gitignore
  • data.zip
  • LICENSE
  • README.md

# Use via CDN

jsDelivr

jsDelivr serves any public GitHub repository as a CDN with zero setup. Pick a version and a file to get a ready-to-paste link and snippet.

Link
Example

Command Glossary

Commands referenced in this DOCs, explained below.

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conda activate

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Activate a conda environment.
See also: `conda deactivate`.

conda activate myenv

Activate an existing environment named `myenv`:

conda activate {{path/to/myenv}}

Activate an existing environment located at custom path:

conda activate --stack myenv

Stack `myenv` environment on top of a previous environment making libraries/commands/variables from both accessible:

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conda config

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Modify configuration values in `.condarc`.

conda config --show

Show all configuration values:

conda config --show {{config_option}}

Show current value of a configuration option:

conda config --set {{key}} {{value}}

Set a configuration value:

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conda create

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Create new conda environments.

conda create {{[-y|--yes]}} {{[-n|--name]}} py39 python=3.9 "numpy>=1.11" scipy

Create a new environment named `py39`, install Python 3.9, NumPy v1.11 or above in it, and the latest stable version of SciPy. Say yes to all confirmations:

conda create {{[-n|--name]}} myenv --file {{file1.yml}} --file {{file2.yml}}

Create a new environment named `myenv` and install packages listed in files:

conda create {{[-p|--prefix]}} {{path/to/myenv}}

Create a new environment at a custom path (i.e. prefix):

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conda install

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Install packages into an existing conda environment.

conda install {{package1 package2 ...}}

Install one or more package into the currently active conda environment:

conda install {{[-c|--channel]}} conda-forge {{package}}

Install a single package into the currently active conda environment using channel conda-forge:

conda install {{[-c|--channel]}} conda-forge --override-channels {{package}}

Install a single package into the currently active conda environment using channel conda-forge and ignoring other channels:

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git clone

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Clone an existing repository.

git clone {{remote_repository_location}} {{path/to/directory}}

Clone an existing repository into a new directory (the default directory is the repository name):

git clone --recursive {{remote_repository_location}}

Clone an existing repository and its submodules:

git clone {{[-n|--no-checkout]}} {{remote_repository_location}}

Clone only the `.git` directory of an existing repository:

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python

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Python language interpreter.

python

Start a REPL (interactive shell):

python {{path/to/file.py}}

Execute a specific Python file:

python -i {{path/to/file.py}}

Execute a specific Python file and start a REPL:

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unzip

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Extract files/directories from Zip archives.
See also: `zip`.

unzip {{path/to/archive1.zip path/to/archive2.zip ...}}

Extract all files/directories from specific archives into the current directory:

unzip {{path/to/archive1.zip path/to/archive2.zip ...}} -d {{path/to/output}}

Extract files/directories from archives to a specific path:

unzip -c {{path/to/archive1.zip path/to/archive2.zip ...}}

Extract files/directories from archives to `stdout` alongside the extracted file names:

// repository documentation