seyonechithrananda / Molecular_Generating_RNN-LSTMLinks
Created a RNN with LSTM cells to learn patterns from SMILES Strings, and use them to generate new molecular structures.
☆18Updated 6 years ago
Alternatives and similar repositories for Molecular_Generating_RNN-LSTM
Users that are interested in Molecular_Generating_RNN-LSTM are comparing it to the libraries listed below
Sorting:
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆24Updated last year
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆65Updated 4 years ago
- Variational Autoencoder for Molecules☆32Updated 6 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆35Updated 3 years ago
- Useful functions for working with small molecules☆53Updated 7 months ago
- PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆30Updated 4 years ago
- An experimental package for deep learning for molecular docking☆20Updated 5 years ago
- ☆28Updated 2 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆36Updated 2 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆67Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆33Updated last year
- Molecular Reinforcement Learning☆14Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Molecular Structure Generation☆31Updated last year
- Fréchet ChemNet Distance: A quality measure for generative models for molecules☆84Updated last year
- ☆46Updated 3 years ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- ☆91Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆99Updated 4 years ago
- ☆38Updated 4 years ago
- ☆67Updated 3 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- ☆74Updated 2 years ago
- Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules☆46Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆105Updated 3 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆28Updated 8 years ago
- Fréchet ChemNet Distance on PyTorch☆53Updated 6 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆69Updated 5 months ago