AllanSCosta / semantic-protein-folding
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
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆30Updated last year
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆28Updated 3 years ago
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆23Updated 3 years ago
- ☆25Updated 2 years ago
- A modular framework for neural networks with Euclidean symmetry☆11Updated 8 months ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆13Updated 2 years ago
- PointNet for Deep Rank: protein-protein interaction scoring using neural networks☆9Updated 4 years ago
- Molecular Reinforcement Learning☆12Updated last year
- Bayesian Illumination is an accelerated generative model for optimization of small molecules.☆15Updated 8 months ago
- An experimental package for deep learning for molecular docking☆20Updated 5 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
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- Normal Mode Analysis for Macromolecules☆16Updated 7 years ago
- Learning Protein Constitutive Motifs from Sequence Data: RBM toolbox☆20Updated 6 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆21Updated 3 weeks ago
- ☆31Updated 3 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 3 years ago
- CH485 - Artificial Intelligence and Chemistry☆14Updated 5 years ago
- Massively-Parallel Natural Extension of Reference Frame☆30Updated 2 years ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆26Updated last year
- Python Bioinformatics Toolkit for CATH (Protein Classification Database @ UCL)☆14Updated 5 months ago
- coming soon☆28Updated last year
- Make valid molecular graphs!☆22Updated last year
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆23Updated 2 weeks ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆40Updated this week
- Boltzmann machine learning for Potts models of biological data☆12Updated 8 months ago
- A Python tool for parsing and analyzing electron density maps data available from the worldwide Protein Data Bank☆12Updated last year
- An experimental repo for experimenting with PyTorch models☆35Updated 2 years ago
- ☆10Updated 4 years ago
- A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2☆11Updated last year