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:
- Deterministic Decoding for Discrete Data in Variational Autoencoders☆24Updated 5 years ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆58Updated 4 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- Short Course on Optimization for Machine Learning - Slides and Practical Lab - Pre-doc Summer School on Learning Systems, July 3 to 7, 20…☆18Updated 8 years ago
- Course titled Practical Machine Learning on Graphs☆45Updated 5 years ago
- Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)☆14Updated 7 years ago
- Experiments in protein folding through language modeling☆10Updated 3 years ago
- A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.☆15Updated 3 years ago
- Experiments with Message Passing GNNs in C++ and PyTorch.☆26Updated last year
- https://moalquraishi.wordpress.com/2018/12/09/alphafold-casp13-what-just-happened/☆50Updated 6 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆31Updated 2 years ago
- A molecule generation benchmarking platform☆13Updated 7 years ago
- ☆10Updated 5 years ago
- BayesGrad: Explaining Predictions of Graph Convolutional Networks☆63Updated 3 years ago
- Molecular dynamics trajectory analysis in Tensorflow☆37Updated 8 years ago
- notebooks of cool EBM visualizations☆15Updated 4 years ago
- Graph Convolutional Networks in JAX☆33Updated 4 years ago
- A mini-framework to build and train neural networks for molecular biology.☆10Updated 7 years ago
- For Streamlit Share proyects☆22Updated 3 years ago
- Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.☆11Updated 3 years ago
- The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)☆58Updated 2 years ago
- Gold medal #2 Kaggle "Predicting Molecular Properties" compatition☆61Updated 6 years ago
- Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch☆96Updated 4 years ago
- ☆11Updated 3 years ago
- Bosch solution to CHAMPS Kaggle competition☆128Updated last year
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆76Updated 4 years ago
- Graph Inference on MoLEcular Topology☆26Updated 2 years ago
- ☆31Updated 7 years ago
- Make valid molecular graphs!☆23Updated last year