[ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"
☆15Jun 30, 2026Updated 2 weeks ago
Alternatives and similar repositories for harmony
Users that are interested in harmony are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆18Jun 12, 2025Updated last year
- ☆15Mar 31, 2026Updated 3 months ago
- Official implementation of "Latent Action Learning Requires Supervision in the Presence of Distractors", ICML 2025☆38Jul 8, 2025Updated last year
- Pipeline and solution for this competition.☆10Feb 26, 2021Updated 5 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…☆24Oct 21, 2025Updated 8 months 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.
- ☆21Jun 2, 2026Updated last month
- ☆18Dec 31, 2024Updated last year
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 8 months ago
- ☆36Jun 10, 2025Updated last year
- ☆25May 20, 2025Updated last year
- LillyMol Public Code☆17Updated this week
- Official Implementation of NeurIPS'23 Paper "Cross-Episodic Curriculum for Transformer Agents"☆32Oct 12, 2023Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆91Apr 7, 2026Updated 3 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 10 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated 3 weeks ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- Official implementation for "Let Offline RL Flow: Training Conservative Agents in the Latent Space of Normalizing Flows", NeurIPS 2022, O…☆12Jan 31, 2023Updated 3 years ago
- ☆15Dec 29, 2022Updated 3 years ago
- ☆38Mar 8, 2024Updated 2 years ago
- ☆40Feb 20, 2026Updated 4 months ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- A scalable benchmark for state representation learning in visual reinforcement learning.☆17Jun 23, 2025Updated last year
- ☆16Jul 16, 2024Updated last year
- ☆10Jun 27, 2024Updated 2 years ago
- Object-Centric-Representation Library (OCRL): This repo is to explore OCR on various downstream tasks from supervised learning tasks to R…☆12Feb 23, 2024Updated 2 years ago
- Quick and dirty protonation☆18Jun 15, 2022Updated 4 years ago
- Measuring the Signal to Noise Ratio in Language Model Evaluation☆31Aug 19, 2025Updated 10 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- XLand-100B: A Large-Scale Multi-Task Dataset for In-Context Reinforcement Learning - - — ICLR 2025☆84Feb 13, 2025Updated last year
- GCRL in JAX. Official repository for LEO (ICML 2026).☆26Jun 20, 2026Updated 3 weeks ago
- A new model for quickly training and simulating adaptive leaky integrate-and-fire spiking neural networks.☆14Apr 9, 2024Updated 2 years ago
- Official Implementation for "In-Context Reinforcement Learning from Noise Distillation"☆35Sep 18, 2024Updated last year
- ☆29Feb 27, 2026Updated 4 months ago
- ☆15Jan 31, 2026Updated 5 months ago
- iPBSA minimizes docked receptor-ligand conformations in implicit solvent and calculates the binding free energy with MM/PB(GB)SA methods.…☆13Oct 10, 2023Updated 2 years ago