A framework for training energy-based diffusion models for sampling and energy estimation.
☆92Nov 21, 2025Updated 3 months ago
Alternatives and similar repositories for ScoreMD
Users that are interested in ScoreMD are comparing it to the libraries listed below
Sorting:
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆59Aug 21, 2024Updated last year
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated last year
- STARLING - conSTruction of intrinsicAlly disoRdered proteins ensembles efficientLy vIa multi-dimeNsional Generative models☆38Dec 23, 2025Updated 2 months ago
- Flow-matching for coarse graining of miniproteins.☆19Nov 18, 2022Updated 3 years ago
- protein structure generation with sparse all-atom denoising models☆60Updated this week
- Tutorial files☆12Aug 7, 2024Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆35Jul 22, 2025Updated 7 months ago
- random colab notebooks for biology☆26Aug 23, 2025Updated 6 months ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆21Oct 31, 2025Updated 4 months ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆40Nov 4, 2025Updated 4 months ago
- Official code release for Ambient Protein Diffusion☆32Aug 30, 2025Updated 6 months ago
- ☆87Dec 15, 2025Updated 2 months ago
- ☆23Jan 17, 2026Updated last month
- ☆42Nov 29, 2025Updated 3 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆170Feb 6, 2026Updated 3 weeks ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆81Mar 7, 2024Updated last year
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- What exactly are the non-canonical amino acids in the Rosetta database folder?☆12Feb 16, 2020Updated 6 years ago
- ☆65Jun 27, 2025Updated 8 months ago
- Disordered protein ensemble prediction☆12Feb 19, 2026Updated last week
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆236Jul 24, 2025Updated 7 months ago
- ☆93Jan 28, 2026Updated last month
- ☆27Feb 10, 2024Updated 2 years ago
- Predicting mutational effects on protein binding from folding energy. ICML 2025.☆39Aug 4, 2025Updated 6 months ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆14Oct 21, 2025Updated 4 months ago
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆13Feb 24, 2025Updated last year
- A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://pr…☆40Jan 21, 2026Updated last month
- a universal molecular interaction modeling platform based on AlphaFold3, supporting structure prediction and analysis for various recepto…☆49Nov 20, 2025Updated 3 months ago
- ☆74Feb 13, 2026Updated 2 weeks ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 2 months ago
- ☆47Apr 16, 2025Updated 10 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆116Jan 28, 2026Updated last month
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆203Feb 16, 2026Updated 2 weeks ago
- [Neurips 2025] Official Implementation of ConfRover models☆20Feb 3, 2026Updated last month
- A deep learning framework for deubiquitnase-substrate interaction identification☆12Jul 31, 2025Updated 7 months ago
- DyNoPy☆11Sep 5, 2024Updated last year
- open source code for Tencent tFold☆143Mar 14, 2025Updated 11 months ago
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆52Apr 20, 2025Updated 10 months ago