Release Notes

MindSpore SPONGE 1.0.0-rc1 Release Notes

MindSpore SPONGE(Simulation Package tOwards Next GEneration molecular modelling) is a toolkit for Computational Biology based on AI framework MindSpore，which supports MD, folding and so on. It aims to provide efficient AI computational biology software for a wide range of scientific researchers, staff, teachers and students.

Major Features and Improvements

  • [STABLE] Protein Structure Prediction Tool MEGA-Fold.

  • [STABLE] MSA Generation Tool MEGA-EvoGen：Multiple Sequence Alignment Dataset for protein structure and function research.

  • [STABLE] Protein Structure Assessment Tool MEGA-Assessment：This tool evaluates the prediction accuracy of each residue in the protein structure and the inter-residue distance error. It further optimizes the protein structure based on the evaluation results.

  • [STABLE] MindSPONGE.PipeLine module: This module contains over than 10 models and a unified invocation interface. User can invocate the model needed to perform training task and prediction task.

Contributors

Thanks goes to these wonderful people:

yufan, gaoyiqin, wangzidong, lujiale, chuht, wangmin0104, mamba_ni, yujialiang, melody, Yesterday, xiayijie, jun.zhang, siruil, Dechin Chen, 十六夜, wangchenghao, liushuo, lijunbin.

Contributions of any kind are welcome!