Machine Learning for Molecular Simulations (ML4MolSim)
We are a small team of researchers from Technical University Berlin, working on advancing molecular simulations with machine learning.
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- hamiltonian-flow-maps Public
Learning Hamiltonian Flow Maps via Mean Flow Consistency for Large-Timestep Molecular Dynamics
ML4MolSim/hamiltonian-flow-maps’s past year of commit activity - dit_mc Public
Official implementation for paper: Sampling 3D Molecular Conformers with Diffusion Transformers (NeurIPS 2025)
ML4MolSim/dit_mc’s past year of commit activity
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