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Description
ESMFold2 builds upon its predecessor, ESMFold, by establishing a new benchmark in single-sequence structure prediction and facilitating the creation of novel functional proteins via exploration of the latent space within the ESMC model. This advanced model is capable of forecasting high-resolution, all-atom 3D structures of biomolecular complexes straight from the amino acid sequence, and it allows for the incorporation of multiple sequence alignments to improve accuracy on difficult targets. Tailored for predicting structures through both sequence and structure modalities, it employs ESM representations that drive a series of looped folding layers while a diffusion model translates pairwise representations into atomic-resolution outcomes. ESMFold2 excels in predicting protein structures from amino acid sequences, providing detailed structural data, including precise all-atom coordinates for both backbone and side chains, along with confidence metrics and optional distogram predictions for in-depth structural evaluation. Furthermore, its innovative approach enhances the understanding of protein folding dynamics and functional implications, making it a valuable tool for researchers in the field.
Description
LAMMPS, which stands for Large-scale Atomic/Molecular Massively Parallel Simulator, is a powerful molecular dynamics software tailored for materials modeling. It has the capability to simulate various particle ensembles across liquid, solid, and gas phases, accommodating a diverse range of systems including atomic, polymeric, biological, solid-state, granular, coarse-grained, mesoscopic, and macroscopic forms by utilizing numerous interatomic potentials, force fields, and boundary conditions. Designed for two or three-dimensional simulations, LAMMPS can handle systems ranging from a handful of particles to billions, ensuring efficient performance on parallel computing architectures while also being user-friendly for modifications and extensions. The software incorporates potentials that cater to solid-state materials like metals and semiconductors, soft matter such as biomolecules and polymers, as well as coarse-grained or mesoscopic systems. Additionally, it serves as a versatile tool for modeling atomic interactions or, more broadly, as a parallel particle simulator applicable across atomic, meso, or continuum scales, making it a valuable resource in computational materials science.
API Access
Has API
API Access
Has API
Integrations
Biohub
Python
Pricing Details
Free
Free Trial
Free Version
Pricing Details
Free
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Biohub
Founded
2016
Country
United States
Website
biohub.ai/models/esmfold2
Vendor Details
Company Name
LAMMPS
Country
United States
Website
www.lammps.org