debbiemarkslab / NEMO
Learning protein structure with a differentiable simulator
☆27Updated 5 years ago
Alternatives and similar repositories for NEMO:
Users that are interested in NEMO are comparing it to the libraries listed below
- Energy-based models for atomic-resolution protein conformations☆97Updated 2 years ago
- ☆62Updated 5 years ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Updated 5 years ago
- PyTorch library of layers acting on protein representations☆117Updated 8 months ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- ☆35Updated 5 years ago
- Massively-Parallel Natural Extension of Reference Frame☆30Updated 2 years ago
- AmoebaContact is a program for multi-cutoff protein contact prediction which starts from target sequence alone. Different from traditiona…☆9Updated 5 years ago
- ☆70Updated 2 years ago
- Recurrent Geometric Network in Pytorch☆29Updated 4 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- Codebase for Cormorant Neural Networks☆61Updated 2 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- Protein quality assessment using Graph Convolutional Networks☆28Updated 2 years ago
- Database of Interacting Protein Structures (DIPS)☆97Updated last year
- 🔗 PyTorch implementation of the Parallelized Natural Extension Reference Frame algorithm☆18Updated 6 years ago
- ☆87Updated 3 years ago
- Universal Transforming Geometric Network for protein structure prediction.☆8Updated 4 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆92Updated 2 years ago
- Generative model for molecular distance geometry☆38Updated last year
- ☆68Updated 2 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆52Updated last year
- Differentiable molecular simulation of proteins with a coarse-grained potential☆55Updated last month
- ☆50Updated 9 months ago
- Deep convolutional networks for fold recognition☆22Updated 5 years ago
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Updated 8 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- Code for the ICML 2019 paper 'Conditioning by adaptive sampling for robust design'☆34Updated 3 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆77Updated last year
- Molecular-GAT☆21Updated 6 years ago