☆11Oct 3, 2026Updated 2 weeks ago
Alternatives and similar repositories for IEV2Mol
Users that are interested in IEV2Mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 5 months ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Oct 2, 2026Updated 3 weeks ago
- ☆14Oct 9, 2024Updated 2 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 4 years ago
- ☆20Mar 3, 2026Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆22Oct 3, 2026Updated 3 weeks ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- ☆10Oct 31, 2025Updated 11 months ago
- ☆12Jul 5, 2024Updated 2 years ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- ☆20Oct 13, 2026Updated last week
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- ☆13Mar 21, 2021Updated 5 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Use https://github.com/cddlab/boltz_restr instead☆19Dec 5, 2025Updated 10 months ago
- Predicting PROTAC protein degradation activity via machine learning.☆17Sep 17, 2025Updated last year
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- Official code repository for the paper titled "Efficient Molecular Conformer Generation with SO(3) Averaged Flow-Matching and Reflow" (IC…☆19Jan 8, 2026Updated 9 months ago
- Refined and extended version of ChemTS☆123Jul 30, 2026Updated 2 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆68Jul 2, 2024Updated 2 years ago
- ☆44Mar 26, 2025Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆49Sep 27, 2025Updated last year
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- 分子動力学法ステップ・バイ・ステップ☆17Oct 13, 2019Updated 7 years ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated 2 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- ☆20Jul 3, 2024Updated 2 years ago
- ☆12Jul 7, 2026Updated 3 months ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆27Sep 15, 2022Updated 4 years ago
- De novo drug design with deep interactome learning☆21Mar 19, 2026Updated 7 months ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆10Oct 27, 2025Updated 11 months ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- repository associated to our pipeline for lipid dynamics☆15Jun 17, 2024Updated 2 years ago
- PharmacoForge: Generates pharmacophores conditioned on a protein pocket using a diffusion model☆17Jan 6, 2026Updated 9 months ago
- ☆12Jun 14, 2022Updated 4 years ago
- ☆19Jun 14, 2025Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 3 years ago