Update README.md to reflect project name change from TestSpace to DCM-Net and add a demo link for the equivariant neural network.

Refactor app.py to improve user experience by updating SMILES input display, enhancing error handling for invalid inputs, and refining the layout for displaying DCM layers. Adjusted slider label for clarity and ensured consistent rendering dimensions for 3D models.

Enhance DCM-Net functionality in app.py by integrating support for multiple DCM layers, updating the rendering of 3D models, and improving the user interface with sliders and buttons. Extend dcm_app.py to create and load models for DCM-3 and DCM-4, and adjust weight loading to accommodate additional models. Update requirements.txt to include new dependencies for molecule visualization.

Update weight loading in dcm_app.py to support both JSON and pickle formats, enhancing flexibility in data handling.

Refactor weight loading in dcm_app.py to use JSON instead of pickle, adding a new function for restoring arrays from loaded data.

Refactor weight loading in dcm_app.py to use pickle for parameter files, replacing pandas with a dedicated function for loading dictionaries.

Enhance DCM evaluation by adding normalization for batch inputs and updating the evaluation function to accept a variable number of DCMs; include print statement for results in app.py.

Refactor app.py to integrate DCM functionality and streamline molecule visualization; update requirements.txt to include plotnine and correct dcmnet repository URL.

Update binary parameter files for best models and DCM variants

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

.

loading weights

testing github package

github in requirements.txt

removed github link

jaxeq

updated test app

Add requirements

Add application file

initial commit