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Input chemical molecules as smiles strings and visualize them

Project description


tags: [gradio-custom-component, SimpleTextbox, chemistry, smiles] title: gradio_molecule2d short_description: Input smiles strings and visualize them colorFrom: blue colorTo: yellow sdk: gradio pinned: false app_file: space.py

gradio_molecule2d

PyPI - Version

Input chemical molecules as smiles strings and visualize them

Installation

pip install gradio_molecule2d

Usage

import gradio as gr
from gradio_molecule2d import molecule2d


example = molecule2d().example_value()

demo = gr.Interface(
    lambda x:x,
    molecule2d(),  # interactive version of your component
    molecule2d(),  # static version of your component
    # examples=[[example]],  # uncomment this line to view the "example version" of your component
)


if __name__ == "__main__":
    demo.launch()

molecule2d

Initialization

name type default description
value
str | Callable | None
None default text to provide in textbox. If callable, the function will be called whenever the app loads to set the initial value of the component.
placeholder
str | None
None placeholder hint to provide behind textbox.
label
str | None
None component name in interface.
every
float | None
None If `value` is a callable, run the function 'every' number of seconds while the client connection is open. Has no effect otherwise. The event can be accessed (e.g. to cancel it) via this component's .load_event attribute.
show_label
bool | None
None if True, will display label.
scale
int | None
None relative size compared to adjacent Components. For example if Components A and B are in a Row, and A has scale=2, and B has scale=1, A will be twice as wide as B. Should be an integer. scale applies in Rows, and to top-level Components in Blocks where fill_height=True.
min_width
int
160 minimum pixel width, will wrap if not sufficient screen space to satisfy this value. If a certain scale value results in this Component being narrower than min_width, the min_width parameter will be respected first.
interactive
bool | None
None if True, will be rendered as an editable textbox; if False, editing will be disabled. If not provided, this is inferred based on whether the component is used as an input or output.
visible
bool
True If False, component will be hidden.
rtl
bool
False If True and `type` is "text", sets the direction of the text to right-to-left (cursor appears on the left of the text). Default is False, which renders cursor on the right.
elem_id
str | None
None An optional string that is assigned as the id of this component in the HTML DOM. Can be used for targeting CSS styles.
elem_classes
list[str] | str | None
None An optional list of strings that are assigned as the classes of this component in the HTML DOM. Can be used for targeting CSS styles.
render
bool
True If False, component will not render be rendered in the Blocks context. Should be used if the intention is to assign event listeners now but render the component later.

Events

name description
change Triggered when the value of the molecule2d changes either because of user input (e.g. a user types in a textbox) OR because of a function update (e.g. an image receives a value from the output of an event trigger). See .input() for a listener that is only triggered by user input.
input This listener is triggered when the user changes the value of the molecule2d.
submit This listener is triggered when the user presses the Enter key while the molecule2d is focused.

User function

The impact on the users predict function varies depending on whether the component is used as an input or output for an event (or both).

  • When used as an Input, the component only impacts the input signature of the user function.
  • When used as an output, the component only impacts the return signature of the user function.

The code snippet below is accurate in cases where the component is used as both an input and an output.

  • As output: Is passed, passes text value as a {str} into the function.
  • As input: Should return, expects a {str} returned from function and sets textarea value to it.
def predict(
    value: str | None
) -> str | None:
    return value

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