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
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

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
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

Free
Free Version
Free Trial

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
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

AutoDock
autodock.scripps.edu/

Company Information

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

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HyperProtein

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Categories

Categories

Integrations

Biohub
Python
YouMi

Integrations

Biohub
Python
YouMi
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