ESMCBiohub
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Related Products
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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.
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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.
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Platforms Supported
Windows
Supported
Mac
Supported
Linux
Supported
Cloud
Not Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
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Android
Not Supported
Chromebook
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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
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Audience
Automated docking tool that helps scientist predict how small molecules bind to a receptor of known 3D structure
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Audience
Protein science researchers who need transformer-based sequence representations for structure prediction, function annotation, mutation analysis, and protein design
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Support
Phone Support
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24/7 Live Support
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Online
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Support
Phone Support
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24/7 Live Support
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Online
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API
Offers API
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API
Offers API
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Pricing
No information available.
Free Version
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Free Trial
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Pricing
Free
Free Version
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Free Trial
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Reviews/
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Training
Documentation
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Webinars
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Live Online
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In Person
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Training
Documentation
Supported
Webinars
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Live Online
Not Supported
In Person
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Company InformationAutoDock
autodock.scripps.edu/
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Company InformationBiohub
Founded: 2016
United States
biohub.ai/models/esmc
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