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Acellera
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@acellera

Acellera

@acellera
Computable Drug Discovery. Our mission is to transform drug discovery into a computable task.
USA, Spain
acellera.com
Joined March 2011
141 Following
1,126 Followers
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  • @acellera
    Acellera
    @acellera
    Jan 21, 2025
    Moving forward towards reasoning models
    @andrewwhite01
    Andrew White 🐦‍⬛
    @andrewwhite01
    Jan 21, 2025
    I've been thinking about how reasoning models will change AI applied to science. The recent papers from Deepseek/AI2/MoonShotAI are showing that we can exceed humans on reasoning tasks and I've written up some reflections on the consequences.
  • @acellera
    Acellera
    @acellera
    Jan 15, 2025
    AceForce 1.0 isn’t just for RBFE calculations—it’s also enabling advanced protein-ligand simulations using NNP/MM methodologies. Discover how AceForce enhances accuracy and efficiency in computational drug discovery.
    1
  • @acellera
    Acellera
    @acellera
    Jan 7, 2025
    AceForce 1.0 is here. Our neural network potential is designed to enhance drug discovery with quantum-level accuracy. AceForce 1.0 delivers precise predictions, reduces computational costs, and integrates seamlessly into workflows. Discover more: acellera.com/blog/advancing…
  • @acellera
    Acellera
    @acellera
    Dec 4, 2024
    ACEMD 4.0.0 is here! Now featuring seamless integration of Neural Network Potentials (NNP) with Molecular Mechanics (MM) for advanced hybrid simulations. Key features: 🔹 Simplified NNP/MM simulations 🔹 Python API & backward compatibility Explore more:
    Acellera. The computational stack for deciding which molecules to make next. PlayMolecule AI, QuantumBind Lab, ACEMD Toolkit.
    Release of ACEMD 4.0.0: Advancing Machine Learning for Molecular Dynamics Simulations | Acellera...
    From acellera.com
  • @acellera
    Acellera
    @acellera
    Oct 30, 2024
    Curious about our tools for drug discovery? Join us on Nov 6 at @ccpbiosim's Industry Talk, where we'll discuss how we use MD simulations in our QuantumBind platform. Register for free here: ukri.zoom.us/webinar/regist…