Popular repositories Loading

1. MDANCE MDANCE Public

   MDANCE: Hyper-efficient tools to process molecular dynamics simulations.

   Python 147 14

2. bitbirch bitbirch Public

   BitBIRCH clustering algorithm

   Python 130 33

3. bblean bblean Public

   BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries

   Python 125 13

4. iSIM iSIM Public

   Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …

   Python 64 15

5. MultipleComparisons MultipleComparisons Public

   Python 45 10

6. PRIME PRIME Public

   protein structure prediction with precision

   Python 29 1