🧬 A Genetic Algorithm for Navigating Synthesizable Molecular Spaces (ICLR 2026)
☆16Apr 1, 2026Updated 6 months ago
Alternatives and similar repositories for synga
Users that are interested in synga are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆13Jul 2, 2026Updated 3 months ago
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 6 months ago
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated 2 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 7 months ago
- ☆16Jun 23, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆98Oct 10, 2026Updated last week
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆40Sep 22, 2026Updated 3 weeks ago
- Mol-JEPA multimodal molecular foundation model☆28Updated this week
- ☆13Mar 28, 2025Updated last year
- ☆13Dec 29, 2022Updated 3 years ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 2 months ago
- Plasmid.ai is the largest open-source toolkit for developing plasmid foundation models.☆14Jan 22, 2025Updated last year
- ☆18Apr 17, 2025Updated last year
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆19Oct 7, 2026Updated last week
- 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.
- ☆14Jan 10, 2023Updated 3 years ago
- A Python package for the calculation of features and descriptors for atoms and bonds in molecules.☆58Jun 29, 2026Updated 3 months ago
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated 3 weeks ago
- ☆25Jul 20, 2026Updated 2 months ago
- Repository of Quantum Datasets Publicly Available☆68Jun 19, 2025Updated last year
- ☆15Apr 4, 2025Updated last year
- Computational Chemistry☆28Jul 11, 2025Updated last year
- The scripts for Gen-COMPAS framework☆79Sep 20, 2026Updated 3 weeks ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆25Nov 1, 2024Updated last year
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆17Oct 29, 2025Updated 11 months ago
- ☆20Updated this week
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Jun 30, 2026Updated 3 months ago
- ☆15Apr 30, 2025Updated last year
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆61Sep 16, 2026Updated last month
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 7 months ago
- ☆27May 16, 2026Updated 5 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆21Dec 22, 2024Updated 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.
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆29Apr 25, 2026Updated 5 months ago
- ☆18May 16, 2026Updated 5 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆59Jul 22, 2025Updated last year
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- gpu implementation mopac☆16Updated this week
- ☆40Feb 20, 2026Updated 7 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year