# models

**Repository Path**: jenazhao/models

## Basic Information

- **Project Name**: models
- **Description**: Trained caffe models
- **Primary Language**: Unknown
- **License**: Not specified
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2025-12-28
- **Last Updated**: 2025-12-28

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# This section of the repository contains caffe model files that are usable with GNINA

## Breakdown of the different sub-directories
 * acs2018           -- The models and atom maps used in [2018 Fall ACS National Meeting poster](http://bits.csb.pitt.edu/files/gnina2018_poster.pdf).
                        Included here is Default2017, Default2018, HiRes Affinity, and HiRes Pose.
 * affinity          -- Legacy models that started the affinity prediction task
 * crossdocked_paper -- The models and atom maps used in our [CrossDocked2020 paper](https://pubs.acs.org/doi/10.1021/acs.jcim.0c00411).
                        Included is Default2017, Default2018, HiRes Affinity, HiRes Pose, and Dense.
 * data              -- Directory containing the raw data used for training and evaluating models.
 * refmodel3         -- Legacy model. It does not support affinity prediction.