AIcrowd / learning-to-smell-starter-kitLinks
☆10Updated 4 years ago
Alternatives and similar repositories for learning-to-smell-starter-kit
Users that are interested in learning-to-smell-starter-kit are comparing it to the libraries listed below
Sorting:
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆58Updated 4 years ago
- Deterministic Decoding for Discrete Data in Variational Autoencoders☆24Updated 5 years ago
- A molecule generation benchmarking platform☆13Updated 7 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- Make valid molecular graphs!☆23Updated last year
- For Streamlit Share proyects☆22Updated 3 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 5 years ago
- Experiments with Message Passing GNNs in C++ and PyTorch.☆26Updated last year
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆31Updated 2 years ago
- Created a RNN with LSTM cells to learn patterns from SMILES Strings, and use them to generate new molecular structures.☆18Updated 6 years ago
- Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)☆14Updated 7 years ago
- Graph convolutional neural networks for analyzing glycans [LEGACY; use glycowork implementation]☆17Updated 4 years ago
- An experimental package for deep learning for molecular docking☆20Updated 5 years ago
- BayesGrad: Explaining Predictions of Graph Convolutional Networks☆63Updated 3 years ago
- ☆14Updated 6 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Experiments in protein folding through language modeling☆10Updated 3 years ago
- ☆34Updated 5 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆75Updated 4 years ago
- Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)☆96Updated 3 years ago
- ☆10Updated 4 years ago
- A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.☆15Updated 3 years ago
- ☆31Updated 7 years ago
- This repository contains code for reproducing results in our paper Interpreting Potts and Transformer Protein Models Through the Lens of …☆58Updated 3 years ago
- A mini-framework to build and train neural networks for molecular biology.☆10Updated 7 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Course titled Practical Machine Learning on Graphs☆44Updated 4 years ago
- A Kind Introduction to my Github Profile and its Structure☆13Updated 6 years ago
- Comparing graph representations for molecular features prediction☆24Updated 2 years ago