Solutions
Experimental Validation
Delivering High-Quality Molecules Through Our Platform
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Relative Binding Affinity Prediction
Lead optimization via relative binding affinities at scale
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De-Novo And Decorative Library Generation
De-novo library generative modelling
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Deep Learning Molecular Properties
Molecular property prediction via machine learning
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In Silico Binding Assay: Molecular Dynamics For Binding Mode Prediction
Binding mode determination and more
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In Silico Conformational Assay: Molecular Dynamics To Study Protein Flexibility
4D structure prediction
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AceDock: Virtual Screening And Docking
Screening large compound libraries
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CrypticScout: Mixed Solvent Molecular Dynamics For Drug Discovery
Fragment binding mode determination
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SPICE Dataset Released
A new DFT dataset for small molecules and more
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Platform
ACEMD
Biomolecular molecular simulation programmable environment
PlayMolecule
Computable drug discovery virtual environment
SPICE Dataset Released
A new DFT dataset for small molecules and more
Read more
Resources
Platform
Software and Documentation
Read the official Acellera software documentation
PlayMolecule.com
Try the web front-end to the PlayMolecule platform.
Resources
Blog
News, updates and the latest by the Acellera team.
Science
Discover more about the science behind Acellera.
SPICE Dataset Released
A new DFT dataset for small molecules and more
Read more
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info@acellera.com
SPICE Dataset Released
A new DFT dataset for small molecules and more
Read more
Let's Talk
Drug discovery partnerships
Our solutions
We focus on preclinical drug discovery where we aim to accelerate discovery and reduce experimental costs. We develop and use molecular dynamics simulations and machine learning.
Experimental Validation
Delivering High-Quality Molecules Through Our Platform
Read more
Relative Binding Affinity Prediction
Lead optimization via relative binding affinities at scale
Read more
De-Novo And Decorative Library Generation
De-novo library generative modelling
Read more
Deep Learning Molecular Properties
Molecular property prediction via machine learning
Read more
In Silico Binding Assay: Molecular Dynamics For Binding Mode Prediction
Binding mode determination and more
Read more
In Silico Conformational Assay: Molecular Dynamics To Study Protein Flexibility
4D structure prediction
Read more
AceDock: Virtual Screening And Docking
Screening large compound libraries
Read more
CrypticScout: Mixed Solvent Molecular Dynamics For Drug Discovery
Fragment binding mode determination
Read more