Deep Molecular Optimization
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Grammarvae | 189 | 4 years ago | 2 | Python | ||||||
| Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925 | ||||||||||
| Molecule Autoencoder | 119 | 7 years ago | 7 | Python | ||||||
| A project to enable optimization of molecules by transforming them to and from a continuous representation. | ||||||||||
| Deep Molecular Optimization | 115 | a year ago | 3 | apache-2.0 | Python | |||||
| Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer | ||||||||||
| Moldqn Pytorch | 40 | 3 years ago | 4 | mit | Python | |||||
| A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning". | ||||||||||
| Chembo | 30 | 2 years ago | 4 | mit | Python | |||||
| Bayesian optimization framework for organic molecules with synthesizable recommendations | ||||||||||
| Optimol | 25 | a year ago | 3 | Python | ||||||
| Optimization of binding affinities in chemical space for drug discovery | ||||||||||
| Mso | 25 | 4 years ago | 1 | mit | Python | |||||
| Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert | ||||||||||
| Deepfmpo | 21 | 5 years ago | 2 | mit | Python | |||||
| Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design" | ||||||||||
| Mol Cycle Gan | 17 | 5 years ago | 1 | mit | Jupyter Notebook | |||||
| Mol-CycleGAN - a generative model for molecular optimization | ||||||||||
| Swarm Cg | 17 | 3 years ago | 23 | November 26, 2020 | 3 | mit | Python | |||
| Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization | ||||||||||
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Python
Optimization
Molecule
Sequence To Sequence