rneeser / LatentFragLinks
Structure-based fragment identification in latent space
☆15Updated 2 weeks ago
Alternatives and similar repositories for LatentFrag
Users that are interested in LatentFrag are comparing it to the libraries listed below
Sorting:
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 10 months ago
- Code for the paper "Learning to engineer protein flexibility".☆18Updated 2 months ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆12Updated last year
- Code for designing biased protein states☆13Updated last month
- ☆43Updated 3 weeks ago
- ☆23Updated last year
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆12Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated 2 weeks ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated last week
- code for SeqDance/ESMDance, biophysics-informed protein language models☆37Updated 2 months ago
- ☆27Updated 2 weeks ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated last week
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆30Updated 3 weeks ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆55Updated 3 weeks ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆42Updated last month
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆46Updated 2 months ago
- Generative diverse protein backbones by protein language model☆32Updated 6 months ago
- ☆67Updated 3 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 weeks ago
- development repository for PyInteraph2☆22Updated 3 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆48Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆14Updated 6 months ago
- ☆14Updated 2 weeks ago
- ☆18Updated 8 months ago