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 |