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Generative models for accelerated molecular dynamics.
fab-torch. Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.
68DistillationTrain-Gym. Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)
44RL-Process-Design. Deep reinforcement learning for design of chemical engineering processes
41se3-augmented-coupling-flows. SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
25Aspen-RL. Reinforcement learning for chemical engineering process design with Aspen Simulator.
20fab-jax. Flow Annealed Importance Sampling Bootstrap (FAB) with JAX.
13FAB-2021. Jupyter Notebook
3Soft-Actor-Critic. Implementing SAC
2Autoencoders-deep-dive. HTML
2ecnf-baseline-neurips-2023. Equivariant continuous normalizing flow trained via flow matching
1Metaheuristic_optimisation. Jupyter Notebook
1riemannian-score-sde. Score-based generative models for compact manifolds
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