AllanSCosta / semantic-protein-foldingLinks
Experiments in protein folding through language modeling
☆10Updated 3 years ago
Alternatives and similar repositories for semantic-protein-folding
Users that are interested in semantic-protein-folding are comparing it to the libraries listed below
Sorting:
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆30Updated 2 years ago
- A modular framework for neural networks with Euclidean symmetry☆11Updated 11 months ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆59Updated 4 years ago
- ☆25Updated 3 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30Updated 4 years ago
- An experimental package for deep learning for molecular docking☆20Updated 5 years ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated last month
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- ☆31Updated 3 years ago
- Bayesian Illumination is an accelerated generative model for optimization of small molecules.☆17Updated last week
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆57Updated 2 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated 6 months ago
- pytorch implementation of trDesign☆45Updated 4 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆74Updated 4 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆20Updated 5 years ago
- Massively-Parallel Natural Extension of Reference Frame☆31Updated 2 years ago
- This repository contains code for reproducing results in our paper Interpreting Potts and Transformer Protein Models Through the Lens of …☆58Updated 2 years ago
- A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)☆64Updated 3 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- Molecular Reinforcement Learning☆13Updated 2 years ago
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆23Updated 3 years ago
- CH485 - Artificial Intelligence and Chemistry☆14Updated 5 years ago
- An interactive visual simulator for distance-based protein folding☆24Updated 4 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- ☆10Updated 3 years ago
- ☆73Updated 2 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆13Updated 2 years ago
- UCSF BMI219 Deep Learning (2017), Coding example (Prediction of protein folding with RNN and CNN)☆16Updated 8 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆33Updated 3 months ago
- AmoebaContact is a program for multi-cutoff protein contact prediction which starts from target sequence alone. Different from traditiona…☆9Updated 5 years ago