Hekstra-Lab / SFcalculatorLinks
☆18Updated last month
Alternatives and similar repositories for SFcalculator
Users that are interested in SFcalculator are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated last week
- ☆68Updated 11 months ago
- Convert coarse-grained protein structure to all-atom model☆39Updated 2 weeks ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago
- Benchmarking code accompanying the release of `bioemu`☆31Updated last week
- An open-source platform for developing protein models beyond AlphaFold.☆11Updated 2 months ago
- mdml: Deep Learning for Molecular Simulations☆42Updated last month
- A benchmark dataset for protein-ligand co-folding prediction☆23Updated 4 months ago
- IDPFold test version☆21Updated 9 months ago
- ☆42Updated last month
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆7Updated last month
- ☆32Updated 8 months ago
- Fast, accurate, and deterministic protein side-chain packing☆31Updated 3 months ago
- ☆48Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- Generate intrinsically disordered peptide conformations via machine learning☆21Updated last year
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆23Updated 10 months ago
- ☆66Updated last week
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated last month
- ☆40Updated last year
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- ☆27Updated 6 months ago
- Extension of ThermoMPNN for double mutant predictions☆33Updated 3 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆37Updated 2 months ago
- ☆44Updated 3 weeks ago
- It's a package for evaluation of predicted poses, right?☆57Updated last week
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month