Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction
☆16Oct 29, 2025Updated 8 months ago
Alternatives and similar repositories for MGBench
Users that are interested in MGBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆51Nov 29, 2025Updated 7 months ago
- Code used in paper for G-loop mining.☆24Feb 23, 2025Updated last year
- Code used to mine surfaces.☆35Feb 23, 2025Updated last year
- ☆18Sep 30, 2025Updated 9 months ago
- ☆14Sep 18, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆19Dec 2, 2025Updated 7 months ago
- Benchmarking tools and analysis scripts for processing and evaluating structural data from the OpenBind EV-A71 2A dataset☆48May 21, 2026Updated 2 months ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Jan 24, 2026Updated 5 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆52Mar 23, 2026Updated 3 months ago
- A unified tree search framework for molecular generation.☆20Jul 14, 2026Updated last week
- Implementation of Differentiable Molecular Simulations with torchMD.☆15Oct 9, 2023Updated 2 years ago
- ☆35Jun 17, 2026Updated last month
- It's a package for evaluation of predicted poses, right?☆78Jul 13, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆38Updated this week
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- A deep reinforcement learning library for conformer generation.☆20Apr 15, 2024Updated 2 years ago
- ☆26Mar 11, 2022Updated 4 years ago
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- ☆11Aug 3, 2023Updated 2 years ago
- Useful Collective Variables for OpenMM☆18May 9, 2024Updated 2 years ago
- ☆15Nov 20, 2024Updated last year
- ☆14Jun 23, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆13Dec 29, 2022Updated 3 years ago
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- Pocket Detection part of "Drug The Whole Genome" project☆15Feb 3, 2026Updated 5 months ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- ☆42Jul 8, 2023Updated 3 years ago
- PaiNN in jax☆11Jan 14, 2025Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 5 months ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 7 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆35Apr 10, 2026Updated 3 months ago
- Fast protein backbone flexibility prediction model☆36Jan 4, 2026Updated 6 months ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆27Apr 25, 2026Updated 2 months ago
- JAX/Equinox translation of ESMFold2☆17May 29, 2026Updated last month
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago