Metadata-Version: 2.4
Name: heiwa
Version: 0.3.0
Summary: Hybrid Explicit-Implicit Water Attention: A Solvent Encoding Dedicated to ESM3-Open
Author-email: Ernest Ngai Hei Ho <hoernesta@gmail.com>
Maintainer-email: Ernest Ngai Hei Ho <hoernesta@gmail.com>
Description-Content-Type: text/markdown
Requires-Dist: biotite
Requires-Dist: biopython>=1.80
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: torch>=2.5.1
Requires-Dist: tqdm
Requires-Dist: esm==3.2.1
Requires-Dist: httpx
Requires-Dist: PyCifRW
Requires-Dist: transformers
Requires-Dist: tokenizers


## Project Introduction
Hybrid Explicit-Implicit Water Attention (HEIWA) adds aqueous solvent encoding the protein language model ESM3 (https://huggingface.co/EvolutionaryScale/esm3-sm-open-v1), resulting in improved biophysical consistency and higher stability in generated proteins. 


## Instructions
Refer to https://github.com/Ernest-NH-Ho/heiwa4h


## Citations
tbc
