ESMC

ESMC

Biohub
+
+

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About

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code. AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders.

About

ESMC is the latest in the ESM family of protein language models, establishing a new frontier in representation learning for protein biology. Trained on billions of evolutionary sequences, it learns representations that reflect a mechanistic reduction of protein structure and function. The model is built on a transformer architecture, supports sequences as its core modality, and is trained on up to 6 billion proteins. ESMC is designed for protein science research, including structure prediction, function annotation, protein design, and understanding evolutionary relationships between proteins. It can generate novel proteins from partial sequence, structure, or functional constraints, helping researchers explore new possibilities in protein design and biological discovery. The Biohub Platform provides access to ESMC through the API and the ESM Python package, with quickstart resources for installing the package, creating an API key, connecting to the platform.

Platforms Supported

Windows Supported
Mac Supported
Linux Supported
Cloud Not Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Platforms Supported

Windows Not Supported
Mac Not Supported
Linux Not Supported
Cloud Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Audience

Automated docking tool that helps scientist predict how small molecules bind to a receptor of known 3D structure

Audience

Protein science researchers who need transformer-based sequence representations for structure prediction, function annotation, mutation analysis, and protein design

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

API

Offers API Not Supported

API

Offers API Supported

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version Not Supported
Free Trial Not Supported

Pricing

Free
Free Version Supported
Free Trial Not Supported

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Company Information

AutoDock
autodock.scripps.edu/

Company Information

Biohub
Founded: 2016
United States
biohub.ai/models/esmc

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piDock

piDock

NaNXOR

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Evo 2

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Trac Ahead

Trac Ahead

Exotrac
ESMFold2

ESMFold2

Biohub
DockMaster

DockMaster

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C3 Reservations

C3 Reservations

C3 Solutions
HyperProtein

HyperProtein

Hypercube

Categories

Drug Discovery Supported

Categories

AI Models Supported
AI Science Supported

Integrations

Biohub Not Supported
Python Not Supported
YouMi Supported

Integrations

Biohub Supported
Python Supported
YouMi Not Supported
Claim AutoDock and update features and information
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