topazape / LSTM_ChemLinks
Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
☆117Updated 2 years ago
Alternatives and similar repositories for LSTM_Chem
Users that are interested in LSTM_Chem are comparing it to the libraries listed below
Sorting:
- Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.☆115Updated 2 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆363Updated 3 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆67Updated 2 years ago
- ☆142Updated 4 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆188Updated 2 years ago
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks☆246Updated 3 years ago
- Moleculenet.ai Datasets And Splits☆104Updated 4 years ago
- Facilitates searching, screening, and organizing large chemical databases☆168Updated last year
- Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology☆215Updated 2 years ago
- ☆97Updated 5 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆114Updated last year
- Predicting protein structure through sequence modeling☆112Updated 5 years ago
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 8 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆101Updated 4 years ago
- Fréchet ChemNet Distance: A quality measure for generative models for molecules☆85Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- An implementation of the Latent Gan as discribed in the publication [cite]☆63Updated 4 years ago
- Baselines models for GuacaMol benchmarks☆143Updated last year
- Code repo for optimizing distributions of molecules.☆128Updated 6 years ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆104Updated 4 years ago
- The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition☆96Updated 8 months ago
- Speed virtual screening by 50X☆96Updated 2 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆83Updated 5 years ago
- A simple web GUI for DeepChem☆62Updated last year
- Collection of data sets of molecules for a validation of properties inference☆109Updated 7 years ago
- A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.☆50Updated 5 months ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago