☆19Jun 21, 2025Updated last year
Alternatives and similar repositories for FLASH_DOCK
Users that are interested in FLASH_DOCK are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated last month
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Jun 16, 2026Updated last month
- Pocket dynamics analysis tool☆18Apr 24, 2026Updated 3 months ago
- ☆11Jan 2, 2021Updated 5 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆96Jul 23, 2024Updated 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.
- Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”☆19Dec 26, 2023Updated 2 years ago
- A potential solution to the early-stage small molecule hit identification☆17May 28, 2026Updated 2 months ago
- Datasets used in the tox21 challenge☆11Nov 6, 2019Updated 6 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- The notes for pytorch geometric learning☆10Jul 5, 2020Updated 6 years ago
- LABind: Identifying Protein Binding Ligand-Aware Sites via Learning Interactions Between Ligand and Protein☆18Aug 21, 2025Updated 11 months ago
- Software package for spin dynamics☆14Jul 30, 2026Updated last week
- ☆10Mar 5, 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.
- 个人科研笔记网站☆22Mar 29, 2025Updated last year
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 2025Updated last year
- ☆12Oct 9, 2024Updated last year
- 该项目需将多个eis数据（包含频率、实部、虚部）汇总到一个excel表格中（每个sheet一份数据），可将多个eis数据批量转化为DRT图谱。☆23Sep 19, 2024Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆242Mar 22, 2026Updated 4 months ago
- Investigation of Thermal Runaway Models in MCMB Lithium Ion Batteries☆14Aug 27, 2023Updated 2 years ago
- ☆14May 23, 2024Updated 2 years ago
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆21Feb 18, 2025Updated last year
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 years 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.
- Config files for my GitHub profile.☆13Apr 2, 2025Updated last year
- SimGNN: A Neural Network Approach to Fast Graph Similarity Computation [WSDM-2019]☆11Apr 18, 2024Updated 2 years ago
- A novel non-pretrained deep supervision network for polyp segmentation☆11Jun 5, 2024Updated 2 years ago
- ☆10Aug 21, 2020Updated 5 years ago
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated 2 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- ☆12May 31, 2024Updated 2 years ago
- ☆11Aug 30, 2020Updated 5 years ago
- I redo the ScRNA analysis in the paper of Wang et al 2020, Nat Comm. Here's my modified script for Helen He Zhu github (https://github.co…☆12Aug 28, 2021Updated 4 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.
- ☆29Sep 13, 2024Updated last year
- ☆22Nov 13, 2025Updated 8 months ago
- ☆13Feb 24, 2021Updated 5 years ago
- ☆14Mar 27, 2026Updated 4 months ago
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆85Apr 6, 2025Updated last year
- ☆19Sep 9, 2025Updated 11 months ago